SCHEMBL3531258

SCHEMBL3531258

COc1cc(C(=O)N2Cc3ccc(C(=O)NCc4cccc(C)c4)n3Cc3ccccc32)ccc1-c1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
AVPR2 P30518 4/20 0.46
LMNA P02545 5/20 0.46
TP53 P04637 2/20 0.46
AVPR1A P37288 2/20 0.40
MAPT P10636 2/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39

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
SCHEMBL3537560 0.94 AVPR2 (0.50) THRBAVPR2LMNATP53AVPR1A
SCHEMBL3533374 0.93 AVPR2 (0.47) THRBAVPR2LMNATP53AVPR1A
SCHEMBL3533195 0.92 AVPR2 (0.43) THRBAVPR2LMNATP53AVPR1A
SCHEMBL3536103 0.91 ROCK2 (0.46) THRBAVPR2LMNATP53AVPR1A
SCHEMBL3534697 0.90 AVPR2 (0.47) THRBAVPR2LMNATP53AVPR1A
SCHEMBL3536010 0.90 AVPR2 (0.47) THRBAVPR2LMNATP53AVPR1A
SCHEMBL3533432 0.90 AVPR2 (0.47) THRBAVPR2LMNATP53AVPR1A
SCHEMBL3536401 0.90 AVPR2 (0.46) THRBAVPR2LMNATP53AVPR1A
SCHEMBL3535538 0.90 MAPT (0.47) THRBAVPR2LMNATP53AVPR1A
SCHEMBL5891149 0.90 AVPR2 (0.46) THRBAVPR2LMNATP53AVPR1A

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 15 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-7858644-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2010-12-28 US disclosed
US-7691848-B2 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2010-04-06 US disclosed
US-20090143437-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LIMITED (GB) 2009-06-04 US disclosed
US-7528157-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-05-05 US disclosed
US-7507754-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2009-03-24 US disclosed
EP-1603893-B1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK LTD (GB) 2008-05-21 EP disclosed
US-20080039502-A1 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2008-02-14 US disclosed
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS ASTERAND UK ACQUISITION LIMITED (GB) 2007-05-31 US disclosed
US-7196089-B2 EP4 receptor antagonists ASTERAND UK LIMITED (GB) 2007-03-27 US disclosed
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists WYETH (US) 2006-09-07 US disclosed
EP-1603893-A1 EP4 RECEPTOR ANTAGONISTS Pharmagene Laboratories Ltd (GB) 2005-12-14 EP disclosed
US-20040192767-A1 EP4 receptor antagonists ASTERAND UK ACQUISITION LIMITED (GB) 2004-09-30 US disclosed
WO-2004067524-A1 EP4 RECEPTOR ANTAGONISTS PHARMAGENE LABORATORIES LIMITED (GB) 2004-08-12 WO 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 (5 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-20090143437-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, NR4A2 THRB 251/4885AVPR2 786/4885LMNA 2378/4885
US-20040192767-A1 EP4 receptor antagonists PTGER4, PTGER1, NR4A1 THRB 264/4885AVPR2 960/4885LMNA 2567/4885
US-20070123575-A1 EP4 RECEPTOR ANTAGONISTS PTGER4, NR4A1, PTGER1 THRB 238/4885AVPR2 762/4885LMNA 2524/4885
US-20080039502-A1 EP4 receptor antagonists PTGER4, NR4A1, PTGER1 THRB 213/4885AVPR2 737/4885LMNA 2548/4885
US-20060199806-A1 Pyrrolobenzodiazepine arylcarboxamides and derivatives thereof as follicle-stimulating hormone receptor antagonists FSHR, GNRHR, LHCGR THRB 65/4885AVPR2 31/4885LMNA 4776/4885

“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.