SCHEMBL3555255

SCHEMBL3555255

CCCc1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cccnc4)n3Cc3ccccc32)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 3/20 0.50
AVPR2 P30518 2/20 0.50
TRPV1 Q8NER1 2/20 0.48
LMNA P02545 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
OXTR P30559 1/20 0.45
NAMPT P43490 2/20 0.43
TSHR P16473 1/20 0.42
VNN1 O95497 1/20 0.41
MAPK1 P28482 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 2/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL3554592 0.91 NAMPT (0.52) AVPR1AAVPR2LMNASMN1; SMN2NAMPT
SCHEMBL3554440 0.91 USP2 (0.47) AVPR1ALMNASMN1; SMN2NAMPTTSHR
SCHEMBL4709971 0.90 LMNA (0.47) AVPR1AAVPR2LMNASMN1; SMN2OXTR
SCHEMBL3552792 0.90 USP2 (0.47) AVPR1ALMNASMN1; SMN2NAMPTVNN1
SCHEMBL3557245 0.90 NAMPT (0.47) AVPR1ALMNASMN1; SMN2NAMPTVNN1
SCHEMBL3550048 0.90 VNN1 (0.47) AVPR1ALMNASMN1; SMN2NAMPTTSHR
SCHEMBL3553644 0.89 GAA (0.45) AVPR1ALMNASMN1; SMN2NAMPTTSHR
SCHEMBL3559289 0.89 KMT2A (0.48) AVPR1ALMNASMN1; SMN2NAMPTTSHR
SCHEMBL3553460 0.89 AVPR1A (0.52) AVPR1AAVPR2LMNASMN1; SMN2OXTR
SCHEMBL3554744 0.89 NAMPT (0.47) AVPR1ALMNASMN1; SMN2NAMPTTSHR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US claimed
EP-1893615-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-03-05 EP claimed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US claimed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO claimed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 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-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR AVPR1A 51/4885AVPR2 26/4885TRPV1 286/4885

“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.