SCHEMBL4458131

SCHEMBL4458131

COC(=O)C1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.70
SRD5A2 P31213 1/20 0.66
KCNH2 Q12809 4/20 0.62

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
SCHEMBL14493967 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL4458128 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL13465160 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL8410044 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL7624008 1.00 AR (0.70) ARSRD5A2KCNH2
SCHEMBL5242813 0.89 AR (0.55) ARSRD5A2KCNH2
SCHEMBL5341211 0.89 AR (0.55) ARSRD5A2KCNH2
SCHEMBL797639 0.89 AR (0.54) ARSRD5A2KCNH2
SCHEMBL5874196 0.88 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5116733 0.88 AR (0.74) ARSRD5A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5138063-A Testosterone reductase inhibitors MERCK & CO., INC. (US) 1992-08-11 US claimed
EP-0271219-B1 TOPICAL PHARMACEUTICAL COMPOSITION CONTAINING 17-BETA-METHOXYCARBONYL-4-METHYL-4-AZA-5-ALPHA-ANDROST-1-EN-3-ONE MERCK & CO. INC. (US) 1992-07-29 EP claimed
EP-0271219-A1 Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one MERCK & CO. INC. (US) 1988-06-15 EP claimed
EP-1960417-B1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- 1-EN-17 . BETA . -CARBOXAMIDE MERCK SHARP & DOHME (US) 2012-10-17 EP disclosed
US-20090048283-A1 Salt of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2009-02-19 US disclosed
EP-1960417-A1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- 1-EN-17 . BETA . -CARBOXAMIDE Merck & Co., Inc. (US) 2008-08-27 EP disclosed
US-7365202-B2 Polymorphs of an androgen receptor modulator MERCK & CO., INC. (US) 2008-04-29 US disclosed
WO-2007067490-A1 POLYMORPHS OF ANDROGEN RECEPTOR MODULATOR - (N-3H-IMIDAZO [4 , 5-B] PYRIDIN-2-YL-METHYL) -2-FLUORO-4-METHYL-3-OXO-4-AZA-ANDROST- l-EN-17 . BETA . -CARBOXAMIDE MERCK & CO., INC. (US) 2007-06-14 WO disclosed
US-20070129548-A1 Polymorphs of an androgen receptor modulator MERCK SHARP & DOHME CORP. 2007-06-07 US disclosed
US-RE39056-E1 4-Azasteroids for treatment of hyperandrogenic conditions MERCK & CO, INC. (US) 2006-04-04 US disclosed
US-6432971-B2 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2002-08-13 US disclosed
EP-0314199-B1 17 BETA-SUBSTITUTED-4-AZA-5 ALPHA-ANDROSTENONES AND THEIR USE AS 5 ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1991-09-18 EP disclosed
US-4888336-A DECREASE DIHYDROTESTOSTERONE ACTIVITY SMITHKLINE BECKMAN CORPORATION (US) 1989-12-19 US disclosed
EP-0314199-A1 17 Beta-substituted-4-aza-5 alpha-androstenones and their use as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1989-05-03 EP disclosed
EP-0285383-A2 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 EP disclosed
EP-0277002-A2 Steroid-5-alpha-reductase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1988-08-03 EP disclosed
US-4760071-A Enzyme inhibitor MERCK & CO., INC. (US) 1988-07-26 US disclosed
EP-0271219-A1 Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one MERCK & CO. INC. (US) 1988-06-15 EP disclosed
EP-0271219-A1 Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one MERCK & CO. INC. (US) 1988-06-15 EP disclosed
EP-0155096-A2 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors MERCK & CO. INC. (US) 1985-09-18 EP 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-20070129548-A1 Polymorphs of an androgen receptor modulator SHBG, AR, BRCA1 AR 2/4885SRD5A2 36/4885KCNH2 4350/4885
US-20090048283-A1 Salt of an androgen receptor modulator AR, SHBG, FSHR AR 1/4885SRD5A2 42/4885KCNH2 4056/4885

“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.