SCHEMBL3532835

SCHEMBL3532835

COc1cc(C(=O)N2Cc3ccc(C(=O)NC(C)c4ccccc4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.48
ROCK2 O75116 3/20 0.42
ROCK1 Q13464 2/20 0.42
AVPR1A P37288 5/20 0.41
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
PDE4A P27815 1/20 0.38
PDE4B Q07343 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL3534309 0.92 AVPR2 (0.44) AVPR2ROCK2ROCK1AVPR1A
SCHEMBL3536519 0.89 AVPR2 (0.49) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL3532447 0.87 AVPR2 (0.48) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL3532332 0.87 AVPR2 (0.48) AVPR2ROCK2AVPR1APDE4APDE4B
SCHEMBL3537560 0.85 AVPR2 (0.50) AVPR2ROCK2ROCK1AVPR1APDE4A
SCHEMBL3536179 0.85 AVPR2 (0.49) AVPR2ROCK2AVPR1APDE4APDE4B
SCHEMBL5784448 0.84 AVPR2 (0.43) AVPR2ROCK2AVPR1AALDH1A1GAA
SCHEMBL3534870 0.84 AVPR2 (0.48) AVPR2ROCK2ROCK1AVPR1AALDH1A1
SCHEMBL3535096 0.83 AVPR2 (0.47) AVPR2ROCK2AVPR1APDE4APDE4B
SCHEMBL3532148 0.83 AVPR2 (0.48) AVPR2ROCK2ROCK1AVPR1A

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 31/4885ROCK2 4411/4885ROCK1 4667/4885

“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.