SCHEMBL3278549

SCHEMBL3278549

C[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(Oc3ccccc3)CC[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.61
SRD5A1 P18405 3/20 0.61
AR P10275 1/20 0.61

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
SCHEMBL3276274 0.90 SRD5A1 (0.52) SRD5A2SRD5A1AR
SCHEMBL8065832 0.88 SRD5A1 (0.49) SRD5A2SRD5A1AR
SCHEMBL8065834 0.88 SRD5A1 (0.49) SRD5A2SRD5A1AR
SCHEMBL8076030 0.85 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL8076036 0.85 SRD5A2 (0.57) SRD5A2SRD5A1AR
SCHEMBL8075699 0.84 SRD5A1 (0.52) SRD5A2SRD5A1AR
SCHEMBL8075695 0.84 SRD5A1 (0.52) SRD5A2SRD5A1AR
SCHEMBL8682928 0.83 SRD5A1 (0.60) SRD5A2SRD5A1AR
SCHEMBL8712728 0.82 SRD5A1 (0.60) SRD5A2SRD5A1AR
SCHEMBL4968345 0.82 SRD5A2 (0.54) SRD5A2SRD5A1AR

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 86 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696210-B2 Gonadotropin releasing hormone receptor antagonists WYETH (US) 2010-04-13 US disclosed
US-7582636-B2 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of Gonadotropin Releasing Hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7582634-B2 7-substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-09-01 US disclosed
US-7538113-B2 4-substituted imidazo[4,5-c]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-26 US disclosed
US-7534796-B2 Imidazo[4,5-b]pyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-19 US disclosed
US-7531542-B2 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2009-05-12 US disclosed
EP-1814866-A2 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-08-08 EP disclosed
EP-1758895-A1 GONADOTROPIN RELEASING HORMONE RECEPTOR ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2007-03-07 EP disclosed
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-30 US disclosed
US-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor WYETH (US) 2006-11-23 US disclosed
WO-1999051234-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051232-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999051233-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-10-14 WO disclosed
WO-1999041251-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-08-19 WO disclosed
WO-1999041252-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1999-08-19 WO disclosed
WO-1998055479-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055470-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055119-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055123-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 WO disclosed
WO-1998055116-A1 ANTAGONISTS OF GONADOTROPIN RELEASING HORMONE MERCK & CO., INC. (US) 1998-12-10 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 (2 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-20060264631-A1 Benzooxazole and benzothiazole antagonists of gonadotropin releasing hormone receptor GNRHR, GHRHR, LHCGR SRD5A2 420/4885SRD5A1 491/4885AR 61/4885
US-20060270848-A1 Piperazinylimidazopyridine and piperazinyltriazolopyridine antagonists of gonadotropin releasing hormone receptor GNRHR, PRLHR, FSHR SRD5A2 1661/4885SRD5A1 2217/4885AR 80/4885

“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.