Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL11898646 | 0.90 | SMN1; SMN2 (0.47) | SMN1; SMN2CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL11899473 | 0.87 | MAPT (0.43) | SMN1; SMN2CYP3A4MAPTKMT2AMEN1 | |
| SCHEMBL11898645 | 0.83 | KDM4E (0.40) | SMN1; SMN2MAPTKDM4ENPSR1LMNA | |
| SCHEMBL11898964 | 0.78 | KMT2A (0.49) | SMN1; SMN2MAPTKMT2AMEN1POLB | |
| SCHEMBL16564437 | 0.78 | MAPT (0.41) | SMN1; SMN2CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL11914099 | 0.77 | MAPT (0.41) | SMN1; SMN2CYP3A4MAPTKMT2AMEN1 | |
| SCHEMBL11898601 | 0.74 | MAPT (0.39) | SMN1; SMN2CYP3A4MAPTKMT2AMEN1 | |
| SCHEMBL11899250 | 0.74 | KMT2A (0.41) | MAPTKMT2AMEN1POLBKDM4E | |
| SCHEMBL11899094 | 0.74 | KMT2A (0.48) | SMN1; SMN2MAPTKMT2AMEN1POLB | |
| SCHEMBL10737356 | 0.74 | MAPT (0.41) | SMN1; SMN2CYP3A4MAPTKMT2AMEN1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2683719-B1 | SUBSTITUTED [(5H-PYRROLO[2,1-c] [1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS | LILLY CO ELI (US) | 2015-03-18 | — | — | EP | disclosed |
| US-8314092-B2 | Substituted [(5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid compounds as dual activity H1 inverse agonists/5-HT2A antagonists | ELI LILLY AND COMPANY (US) | 2012-11-20 | — | — | US | disclosed |
| US-8314092-B2 | Substituted [(5H-pyrrolo[2,1-c][1,4]benzodiazepin-11-yl)piperazin-1-yl]-2,2-dimethylpropanoic acid compounds as dual activity H1 inverse agonists/5-HT2A antagonists | ELI LILLY AND COMPANY (US) | 2012-11-20 | — | — | US | disclosed |
| WO-2012109011-A1 | SUBSTITUTED [(5H-PYRROLO[2,1-c] [1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2012-08-16 | — | — | WO | disclosed |
| US-20120202797-A1 | SUBSTITUTED [(5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2012-08-09 | — | — | US | disclosed |
| US-20120202797-A1 | SUBSTITUTED [(5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS | ELI LILLY AND COMPANY (US) | 2012-08-09 | — | — | 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 (1 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-20120202797-A1 | SUBSTITUTED [(5H-PYRROLO[2,1-c][1,4]BENZODIAZEPIN-11-YL)PIPERAZIN-1-YL]-2,2-DIMETHYLPROPANOIC ACID COMPOUNDS AS DUAL ACTIVITY H1 INVERSE AGONISTS/5-HT2A ANTAGONISTS | HTR2A, HTR1A, HTR2C | SMN1; SMN2 2673/4885CYP1A2 305/4885CYP3A4 1936/4885 |
“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.