Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Cimetidine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH2 known ✓ | P25021 | 3/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | SLC47A1 | Q96FL8 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | GLA | P06280 | 1/20 | 0.48 |
| ▸ | ATP4A | P20648 | 1/20 | 0.48 |
| ▸ | APEX1 | P27695 | 1/20 | 0.48 |
| ▸ | PDE4A | P27815 | 1/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.48 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.48 |
| ▸ | ATP4B | P51164 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SLC47A2 | Q86VL8 | 1/20 | 0.48 |
| ▸ | SLC22A8 | Q8TCC7 | 1/20 | 0.48 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Cimetidine SCHEMBL11283011 | 1.00 | HRH2 (0.48) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11005661 | 0.94 | CYP3A4 (0.51) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11357012 | 0.87 | CYP3A4 (0.45) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11081872 | 0.86 | HRH2 (0.44) | HRH2CYP3A4CYP2D6LMNATSHR | |
| SCHEMBL11364278 | 0.85 | SMN1; SMN2 (0.46) | HRH2CYP3A4CYP2D6LMNATSHR | |
| Cimetidine SCHEMBL10855569 | 0.84 | SLC47A1 (0.69) | HRH2CYP3A4CYP2D6LMNATSHR | |
| Cimetidine SCHEMBL10859058 | 0.84 | SLC47A1 (0.69) | HRH2CYP3A4CYP2D6LMNATSHR | |
| Cimetidine SCHEMBL1163516 | 0.84 | SLC47A1 (0.69) | HRH2CYP3A4CYP2D6LMNATSHR | |
| Cimetidine SCHEMBL2873981 | 0.84 | SLC47A1 (0.69) | HRH2CYP3A4CYP2D6LMNATSHR | |
| Cimetidine SCHEMBL10855575 | 0.84 | SLC47A1 (0.69) | HRH2CYP3A4CYP2D6LMNATSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 28 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11547701-B2 | Compounds and compositions for the inhibition of NAMPT | VALO HEALTH, INC. (US) | 2023-01-10 | — | — | US | disclosed |
| US-20210244717-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | Valo Health, LLC | 2021-08-12 | — | — | US | disclosed |
| US-20210246147-A1 | PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) | Valo Health, LLC | 2021-08-12 | — | — | US | disclosed |
| US-10772874-B2 | Compounds and compositions for the inhibition of NAMPT | VALO HEALTH, INC. | 2020-09-15 | — | — | US | disclosed |
| US-10647695-B2 | Compounds and compositions for the inhibition of NAMPT | FORMA TM, LLC (US) | 2020-05-12 | — | — | US | disclosed |
| US-10456382-B2 | Compounds and compositions for the inhibition of NAMPT | FORMA TM, LLC (US) | 2019-10-29 | — | — | US | disclosed |
| US-20190270721-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | Valo Health, LLC | 2019-09-05 | — | — | US | disclosed |
| US-10329275-B2 | Compounds and compositions for the inhibition of NAMPT | FORMA TM, LLC (US) | 2019-06-25 | — | — | US | disclosed |
| US-10272072-B2 | Compounds and compositions for the inhibition of NAMPT | FORMA TM, LLC (US) | 2019-04-30 | — | — | US | disclosed |
| US-20190105307-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | Valo Health, LLC | 2019-04-11 | — | — | US | disclosed |
| US-9169209-B2 | Compounds and compositions for the inhibition of NAMPT | FORMA TM, LLC (US) | 2015-10-27 | — | — | US | disclosed |
| US-9169209-B2 | Compounds and compositions for the inhibition of NAMPT | FORMA TM, LLC (US) | 2015-10-27 | — | — | US | disclosed |
| US-20140294805-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | VALO EARLY DISCOVERY, INC. | 2014-10-02 | — | — | US | disclosed |
| US-20140294805-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | VALO EARLY DISCOVERY, INC. | 2014-10-02 | — | — | US | disclosed |
| US-20140248240-A1 | PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) | VALO HEALTH, INC. | 2014-09-04 | — | — | US | disclosed |
| US-20140248240-A1 | PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) | VALO HEALTH, INC. | 2014-09-04 | — | — | US | disclosed |
| US-20130295051-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | VALO HEALTH, INC. | 2013-11-07 | — | — | US | disclosed |
| US-20130295051-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | VALO HEALTH, INC. | 2013-11-07 | — | — | US | disclosed |
| US-20130273034-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | VALO EARLY DISCOVERY, INC. | 2013-10-17 | — | — | US | disclosed |
| US-20130273034-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | VALO EARLY DISCOVERY, INC. | 2013-10-17 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (14 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10647695-B2 | Compounds and compositions for the inhibition of NAMPT | NAMPT, NNT, NQO1 | HRH2 3493/4885CYP3A4 1074/4885CYP2D6 435/4885 |
| US-20190105307-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | NAMPT, NNMT, NQO1 | HRH2 2967/4885CYP3A4 2444/4885CYP2D6 1847/4885 |
| US-20130295051-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | NAMPT, NNMT, NQO1 | HRH2 2978/4885CYP3A4 2406/4885CYP2D6 1828/4885 |
| US-11547701-B2 | Compounds and compositions for the inhibition of NAMPT | NAMPT, NNMT, NQO1 | HRH2 3441/4885CYP3A4 1137/4885CYP2D6 818/4885 |
| US-20140294805-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | NAMPT, NNMT, NQO1 | HRH2 2967/4885CYP3A4 2444/4885CYP2D6 1847/4885 |
| US-20210246147-A1 | PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) | NAMPT, NAPRT, NNMT | HRH2 2621/4885CYP3A4 1661/4885CYP2D6 1121/4885 |
| US-10772874-B2 | Compounds and compositions for the inhibition of NAMPT | NAMPT, NNMT, NQO1 | HRH2 3441/4885CYP3A4 1137/4885CYP2D6 818/4885 |
| US-10272072-B2 | Compounds and compositions for the inhibition of NAMPT | NAMPT, NNMT, NQO1 | HRH2 3441/4885CYP3A4 1137/4885CYP2D6 818/4885 |
| US-10329275-B2 | Compounds and compositions for the inhibition of NAMPT | NAMPT, NNT, NQO1 | HRH2 3493/4885CYP3A4 1074/4885CYP2D6 435/4885 |
| US-20140248240-A1 | PIPERIDINE DERIVATIVES AND COMPOSITIONS FOR THE INHIBITION OF NICOTINAMIDE PHOSPHORIBOSYLTRANSFERASE (NAMPT) | NAMPT, NAPRT, NNMT | HRH2 2621/4885CYP3A4 1661/4885CYP2D6 1121/4885 |
| US-10456382-B2 | Compounds and compositions for the inhibition of NAMPT | NAMPT, NNMT, NQO1 | HRH2 3441/4885CYP3A4 1137/4885CYP2D6 818/4885 |
| US-20190270721-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | NAMPT, HAMP, NQO1 | HRH2 3055/4885CYP3A4 1613/4885CYP2D6 771/4885 |
| US-20210244717-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | NAMPT, NNMT, NQO1 | HRH2 2967/4885CYP3A4 2444/4885CYP2D6 1847/4885 |
| US-20130273034-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR THE INHIBITION OF NAMPT | NAMPT, NNMT, NQO1 | HRH2 2967/4885CYP3A4 2444/4885CYP2D6 1847/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.