SCHEMBL3532148

SCHEMBL3532148

COc1cc(C(=O)N2Cc3ccc(C(=O)NCCCc4ccccc4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.48
NAMPT P43490 2/20 0.43
AVPR1A P37288 3/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
DRD4 P21917 1/20 0.38
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
DRD3 P35462 1/20 0.38

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
SCHEMBL3537184 0.98 AVPR2 (0.47) AVPR2NAMPTAVPR1ANPC1RAB9A
SCHEMBL3536824 0.92 AVPR2 (0.43) AVPR2NAMPTAVPR1ANPC1RAB9A
SCHEMBL3536120 0.91 AVPR2 (0.46) AVPR2AVPR1ANPC1RAB9AROCK2
SCHEMBL3537560 0.91 AVPR2 (0.50) AVPR2AVPR1AROCK2ROCK1
SCHEMBL3533405 0.91 AVPR2 (0.46) AVPR2NAMPTAVPR1ANPC1RAB9A
SCHEMBL3540620 0.91 AVPR2 (0.46) AVPR2NAMPTAVPR1ANPC1RAB9A
SCHEMBL3533000 0.90 AVPR2 (0.42) AVPR2NAMPTAVPR1ANPC1RAB9A
SCHEMBL3534087 0.90 AVPR2 (0.45) AVPR2NAMPTAVPR1ANPC1RAB9A
SCHEMBL5783300 0.90 AVPR2 (0.51) AVPR2NAMPTAVPR1APOLBHTR1A
SCHEMBL3533453 0.89 AVPR2 (0.46) AVPR2NAMPTNPC1RAB9APOLB

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 31/4885NAMPT 3211/4885AVPR1A 63/4885

“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.