SCHEMBL3537863

SCHEMBL3537863

COc1ccccc1-c1ccc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.51
AVPR2 P30518 13/20 0.51
FFAR2 O15552 3/20 0.40
HSD17B3 P37058 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
SCHEMBL3554634 0.88 AVPR2 (0.63) AVPR1AAVPR2
SCHEMBL3535826 0.88 AVPR2 (0.47) AVPR1AAVPR2
SCHEMBL3552960 0.86 AVPR1A (0.63) AVPR1AAVPR2
SCHEMBL5784180 0.85 AVPR2 (0.54) AVPR1AAVPR2
SCHEMBL13403230 0.84 AVPR1A (0.53) AVPR1AAVPR2
SCHEMBL3535096 0.84 AVPR2 (0.47) AVPR1AAVPR2
SCHEMBL7108357 0.83 AVPR1A (0.52) AVPR1AAVPR2FFAR2
SCHEMBL5784900 0.83 AVPR2 (0.52) AVPR1AAVPR2
SCHEMBL5785287 0.83 AVPR1A (0.55) AVPR1AAVPR2FFAR2
SCHEMBL5783984 0.83 AVPR2 (0.47) AVPR1AAVPR2FFAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-7687623-B2 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH LLC (US) 2010-03-30 US disclosed
US-7678787-B2 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-03-16 US disclosed
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 disclosed
EP-1879898-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-01-23 EP disclosed
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-12-21 US disclosed
WO-2006135687-A1 PYRROLOBENZODIAZEPINE PYRIDINE CARBOXAMIDES AND DERIVATIVES AS FOLLICLE-STIMULATING HORMONE RECEPTOR ANTAGONISTS WYETH (US) 2006-12-21 WO disclosed
WO-2006124581-A2 PYRROLOBENZODIAZEPINES AND HETEROCYCLIC CARBOXAMIDE DERIVATIVES AS FOLLICLE STIMULATING HORMONE RECEPTOR (FSH-R) ANTAGONISTS WYETH (US) 2006-11-23 WO disclosed
US-20060258645-A1 Pyrrolobenzodiazepines and heterocyclic carboxamide derivatives as follicle stimulating hormone receptor (FSH-R) antagonists WYETH (US) 2006-11-16 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 (3 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 AVPR1A 16/4885AVPR2 9/4885FFAR2 131/4885
US-20060287522-A1 Pyrrolobenzodiazepine pyridine carboxamides and derivatives as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, PRLHR AVPR1A 51/4885AVPR2 26/4885FFAR2 114/4885
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, LHCGR AVPR1A 63/4885AVPR2 31/4885FFAR2 94/4885

“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.