SCHEMBL3533015

SCHEMBL3533015

Cc1ccc(CCNC(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(-c4ccccc4C)c(C)c2)C3)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 7/20 0.43
AVPR1A P37288 6/20 0.43
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
TP53 P04637 2/20 0.39
THRB P10828 2/20 0.39
POLB P06746 2/20 0.39
MAPT P10636 2/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL3533308 0.94 AVPR2 (0.42) AVPR2AVPR1A
SCHEMBL3536084 0.94 AVPR2 (0.42) AVPR2AVPR1ANPC1RAB9ATP53
SCHEMBL3536120 0.92 AVPR2 (0.46) AVPR2AVPR1ANPC1RAB9ATP53
SCHEMBL3536119 0.92 NAMPT (0.44) AVPR2AVPR1ANPC1RAB9ATP53
SCHEMBL3532263 0.92 AVPR2 (0.44) AVPR2AVPR1ATP53THRBMAPT
SCHEMBL3536824 0.90 AVPR2 (0.43) AVPR2AVPR1ANPC1RAB9APOLB
SCHEMBL3533000 0.90 AVPR2 (0.42) AVPR2AVPR1ANPC1RAB9APOLB
SCHEMBL3531602 0.89 NAMPT (0.47) AVPR2AVPR1ANPC1RAB9ATHRB
SCHEMBL3532079 0.89 AVPR2 (0.45) AVPR2THRBPOLBMAPTTDP1
SCHEMBL3533907 0.89 NAMPT (0.44) AVPR2AVPR1ANPC1RAB9ATP53

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 63/4885NPC1 1520/4885

“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.