SCHEMBL3534112

SCHEMBL3534112

COc1cc(C(=O)N2Cc3ccc(C(=O)NCc4ccc(F)cc4F)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.45
AVPR1A P37288 7/20 0.40
KCNK3 O14649 1/20 0.39
KCNK5 O95279 1/20 0.39
KCNA5 P22460 1/20 0.39
KCNK17 Q96T54 1/20 0.39
KCNK9 Q9NPC2 1/20 0.39
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
PPARG P37231 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
SCHEMBL3534870 0.91 AVPR2 (0.48) AVPR2AVPR1AROCK2ROCK1
SCHEMBL3536010 0.91 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL3536401 0.90 AVPR2 (0.46) AVPR2AVPR1AROCK2ROCK1
SCHEMBL3537560 0.88 AVPR2 (0.50) AVPR2AVPR1AROCK2ROCK1
SCHEMBL3534647 0.88 ROCK2 (0.46) AVPR2AVPR1AROCK2ROCK1
SCHEMBL3533374 0.87 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL3534697 0.86 AVPR2 (0.47) AVPR2AVPR1A
SCHEMBL3533432 0.86 AVPR2 (0.47) AVPR2AVPR1AROCK2ROCK1
SCHEMBL3535538 0.85 MAPT (0.47) AVPR2AVPR1AROCK2ROCK1
SCHEMBL5891149 0.85 AVPR2 (0.46) AVPR2AVPR1AROCK2ROCK1

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 63/4885KCNK3 784/4885

“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.