SCHEMBL3576884

SCHEMBL3576884

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)NCc4cc(C)on4)n3Cc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 9/20 0.51
AVPR1A P37288 5/20 0.44
ROCK2 O75116 2/20 0.40
ALDH1A1 P00352 3/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MEN1 O00255 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NAMPT P43490 1/20 0.39
NPSR1 Q6W5P4 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 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
SCHEMBL5891483 0.87 AVPR2 (0.51) AVPR2AVPR1AROCK2MEN1RAB9A
SCHEMBL3576454 0.87 AVPR2 (0.49) AVPR2AVPR1AROCK2MAPT
SCHEMBL5890729 0.85 AVPR2 (0.50) AVPR2AVPR1ANAMPT
SCHEMBL3580102 0.83 AVPR2 (0.50) AVPR2AVPR1ANAMPT
SCHEMBL3553453 0.83 AVPR2 (0.48) AVPR2AVPR1AROCK2ALDH1A1GAA
SCHEMBL3552894 0.83 AVPR2 (0.48) AVPR2AVPR1A
SCHEMBL3575226 0.82 ROCK2 (0.39) AVPR2AVPR1AROCK2NAMPT
SCHEMBL5891185 0.81 AVPR2 (0.50) AVPR2AVPR1AALDH1A1RAB9ANAMPT
SCHEMBL5891188 0.81 AVPR2 (0.51) AVPR2AVPR1AROCK2ALDH1A1MEN1
SCHEMBL5784283 0.80 AVPR2 (0.55) AVPR2AVPR1ANAMPT

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-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
US-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
US-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
US-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH (US) 2006-11-16 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-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists FSHR, GNRHR, PRLHR AVPR2 9/4885AVPR1A 16/4885ROCK2 3837/4885

“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.