SCHEMBL3536119

SCHEMBL3536119

COc1ccc(CCNC(=O)c2ccc3n2Cc2ccccc2N(C(=O)c2ccc(-c4ccccc4C)c(C)c2)C3)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 2/20 0.44
AVPR2 P30518 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.41
DRD2 P14416 1/20 0.41
AVPR1A P37288 1/20 0.41
RAB9A P51151 3/20 0.40
MAPT P10636 3/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 2/20 0.40
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
ROCK2 O75116 1/20 0.40
TP53 P04637 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
SCHEMBL3540620 0.95 AVPR2 (0.46) NAMPTAVPR2SMN1; SMN2DRD2AVPR1A
SCHEMBL3532196 0.92 LMNA (0.46) AVPR2SMN1; SMN2DRD2AVPR1ARAB9A
SCHEMBL3533015 0.92 AVPR2 (0.43) AVPR2AVPR1ARAB9AMAPTNPC1
SCHEMBL3533308 0.92 AVPR2 (0.42) NAMPTAVPR2AVPR1AROCK2
SCHEMBL3532079 0.91 AVPR2 (0.45) NAMPTAVPR2SMN1; SMN2MAPTLMNA
SCHEMBL3536084 0.91 AVPR2 (0.42) NAMPTAVPR2AVPR1ARAB9AMAPT
SCHEMBL3536120 0.90 AVPR2 (0.46) AVPR2AVPR1ARAB9ANPC1LMNA
SCHEMBL3533405 0.89 AVPR2 (0.46) NAMPTAVPR2AVPR1ARAB9ANPC1
SCHEMBL3534857 0.89 AVPR2 (0.46) NAMPTAVPR2SMN1; SMN2AVPR1ARAB9A
SCHEMBL3534087 0.88 AVPR2 (0.45) NAMPTAVPR2AVPR1ARAB9AMAPT

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 NAMPT 3211/4885AVPR2 31/4885SMN1; SMN2 4879/4885

“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.