Known targets — ChEMBL curated mechanism
CHRM1CHRM2CHRM3CHRM4CHRM5SLC6A2dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of None. 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 | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | PKM | P14618 | 3/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 5/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 4/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | TERT | O14746 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL1001565 | 0.83 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL6206493 | 0.81 | ACHE (0.47) | KDM4EALDH1A1SMN1; SMN2PKMPOLB | |
| SCHEMBL3396649 | 0.80 | KDM4E (0.41) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL3993627 | 0.78 | ACHE (0.43) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| Water SCHEMBL4610904 | 0.77 | ACHE (0.43) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL4848699 | 0.76 | LMNA (0.45) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL6558852 | 0.75 | KDM4E (0.40) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| SCHEMBL11666489 | 0.74 | ALDH1A1 (0.48) | KDM4EALDH1A1HPGDPKMGAA | |
| SCHEMBL9865748 | 0.74 | KDM4E (0.46) | KDM4EALDH1A1SMN1; SMN2HPGDPKM | |
| Water SCHEMBL7556226 | 0.74 | LMNA (0.44) | KDM4EALDH1A1SMN1; SMN2HPGDPKM |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1465882-B1 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2011-08-24 | — | — | EP | disclosed |
| US-7115640-B2 | Heterocyclic modulators of nuclear receptors | X-CEPTOR THERAPEUTICS, INC. (US) | 2006-10-03 | — | — | US | disclosed |
| EP-1465882-A4 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2005-04-06 | — | — | EP | disclosed |
| EP-1465882-A2 | HETROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-Ceptor Therapeutics, Inc. (US) | 2004-10-13 | — | — | EP | disclosed |
| US-20040180942-A1 | Heterocyclic modulators of nuclear receptors | X-CEPTOR THERAPEUTICS, INC. | 2004-09-16 | — | — | US | disclosed |
| US-6696473-B2 | THIAZOLIDINONE DERIVATIVES; MODULATING CHOLESTEROL METABOLISM | X-CEPTOR THERAPEUTICS, INC. | 2004-02-24 | — | — | US | disclosed |
| WO-2003060078-A9 | HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X CEPTOR THERAPEUTICS INC (US) | 2004-02-19 | — | — | WO | disclosed |
| US-20030212111-A1 | Heterocyclic modulators of nuclear receptors | AKARNA THERAPEUTICS, LTD. (GB) | 2003-11-13 | — | — | US | disclosed |
| WO-2003060078-A2 | HETEROCYCLIC MODULATORS OF NUCLEAR RECEPTORS | X-CEPTOR THERAPEUTICS, INC. (US) | 2003-07-24 | — | — | WO | 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 (2 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-20040180942-A1 | Heterocyclic modulators of nuclear receptors | NR1H2, NR1H3, NR1H4 | KDM4E 3294/4885ALDH1A1 2884/4885SMN1; SMN2 4858/4885 |
| US-20030212111-A1 | Heterocyclic modulators of nuclear receptors | NR1H2, NR1H3, NR1H4 | KDM4E 3294/4885ALDH1A1 2884/4885SMN1; SMN2 4858/4885 |
“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.