SCHEMBL3533405

SCHEMBL3533405

COc1cc(C(=O)N2Cc3ccc(C(=O)NCCc4ccc(O)cc4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.46
AVPR1A P37288 6/20 0.39
CNR2 P34972 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
NAMPT P43490 1/20 0.38
ROCK2 O75116 3/20 0.38
ROCK1 Q13464 2/20 0.38
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36

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
SCHEMBL3536120 0.95 AVPR2 (0.46) AVPR2AVPR1ANPC1RAB9AROCK2
SCHEMBL3534857 0.94 AVPR2 (0.46) AVPR2AVPR1ACNR2NPC1RAB9A
SCHEMBL3540620 0.94 AVPR2 (0.46) AVPR2AVPR1ANPC1RAB9ANAMPT
SCHEMBL3534087 0.94 AVPR2 (0.45) AVPR2AVPR1ANPC1RAB9ADNMT3A
SCHEMBL3533453 0.93 AVPR2 (0.46) AVPR2NPC1RAB9ANAMPTPDE4A
SCHEMBL3533308 0.93 AVPR2 (0.42) AVPR2AVPR1ANAMPTROCK2
SCHEMBL3532148 0.91 AVPR2 (0.48) AVPR2AVPR1ANPC1RAB9ANAMPT
SCHEMBL3537184 0.90 AVPR2 (0.47) AVPR2AVPR1ANPC1RAB9ANAMPT
SCHEMBL3531801 0.90 NAMPT (0.44) AVPR2NPC1RAB9ANAMPTROCK2
SCHEMBL3539415 0.89 AVPR2 (0.44) AVPR2AVPR1ANPC1RAB9ANAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US claimed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 US claimed
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 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.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, LHCGR AVPR2 31/4885AVPR1A 63/4885CNR2 113/4885

“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.