SCHEMBL4334659

SCHEMBL4334659

Cc1nc2cc(OC[C@H](O)CN3CCN(CCOc4ccc(F)c(Cl)c4)CC3)ccc2s1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.56

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL4334506 0.91 CYP3A4 (0.59) CYP3A4
SCHEMBL6028488 0.91 CYP3A4 (0.59) CYP3A4
SCHEMBL4323875 0.90 CYP3A4 (0.58) CYP3A4
SCHEMBL6028154 0.90 CYP3A4 (0.56) CYP3A4
SCHEMBL4332718 0.90 CYP3A4 (0.56) CYP3A4
SCHEMBL4329406 0.89 CYP3A4 (0.59) CYP3A4
SCHEMBL6027484 0.87 CYP3A4 (0.63) CYP3A4
SCHEMBL4327396 0.87 CYP3A4 (0.60) CYP3A4
SCHEMBL4333287 0.87 CYP3A4 (0.64) CYP3A4
SCHEMBL4333226 0.86 CYP3A4 (0.57) CYP3A4

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US claimed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 US claimed
JP-2007514769-A 2007-06-07 JP claimed
EP-1723129-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2006-11-22 EP claimed
US-20060229317-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2006-10-12 US claimed
US-7115610-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-03 US claimed
US-20050197346-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2005-09-08 US claimed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 WO claimed
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2009-02-26 US disclosed
US-7452889-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2008-11-18 US disclosed
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS ELZEIN ELFATIH 2008-02-07 US disclosed
US-7262198-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2007-08-28 US disclosed
EP-1723129-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2006-11-22 EP disclosed
US-20060229317-A1 Substituted heterocyclic compounds ELZEIN ELFATIH 2006-10-12 US disclosed
US-7115610-B2 Substituted heterocyclic compounds CV THERAPEUTICS, INC. (US) 2006-10-03 US disclosed
US-20050197346-A1 Substituted heterocyclic compounds CV THERAPEUTICS, INC. 2005-09-08 US disclosed
WO-2005061470-A1 1-AKAN-2-OL SUBSTITUTED PIPERAZINE AND PIPERIDINE COMPOUNDS CV THERAPEUTICS, INC. (US) 2005-07-07 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 (4 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060229317-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CYP3A4 608/4885
US-20080032993-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A CYP3A4 608/4885
US-20090054457-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS KCNH1, SDHA, COQ8A CYP3A4 608/4885
US-20050197346-A1 Substituted heterocyclic compounds KCNH1, SDHA, COQ8A CYP3A4 608/4885

“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.