SCHEMBL4454377

SCHEMBL4454377

COC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4N(C)C(=O)CC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.69
SRD5A2 P31213 1/20 0.69

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
SCHEMBL13954850 1.00 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL14493964 1.00 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL13403482 1.00 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL4454380 1.00 SRD5A1 (0.69) SRD5A1SRD5A2
SCHEMBL8021083 0.87 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL9349878 0.87 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL13604091 0.87 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL2376048 0.87 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL9571051 0.87 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL4187752 0.87 SRD5A1 (0.72) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US 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-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
US-20010049376-A1 Method of prevention of prostatic carcinoma with 17beta-N-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO., INC. 2001-12-06 US disclosed
US-6268376-B1 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2001-07-31 US disclosed
WO-1994014452-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17β-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES MERCK & CO., INC. (US) 1994-07-07 WO disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
EP-0576603-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO. INC. (US) 1994-01-05 EP disclosed
EP-0547691-A1 The use of 17B-N-mono-substituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO. INC. (US) 1993-06-23 EP disclosed
EP-0547687-A1 17B-N-Substituted adamantyl/norbonanyl carbamoyl-4-aza-5a-and-rost-1-en-3-ones and androstan-3 ones MERCK & CO. INC. (US) 1993-06-23 EP disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed
EP-0004949-B1 4-AZA-17-SUBSTITUTED-5-ALPHA-ANDROSTAN-3-ONE, THEIR A AND D HOMO ANALOGS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-09-21 EP disclosed
US-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US disclosed
US-4220775-A Preparation of 4-aza-17-substituted-5α-androstan-3-ones useful as 5α-reductase inhibitors MERCK & CO., INC. (US) 1980-09-02 US disclosed
EP-0004949-A1 4-Aza-17-substituted-5-alpha-androstan-3-one, their A and D homo analogs, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1979-10-31 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 (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-20010049376-A1 Method of prevention of prostatic carcinoma with 17beta-N-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones NR5A1, CYP17A1, HSD17B7 SRD5A1 8/4885SRD5A2 11/4885
US-20070129548-A1 Polymorphs of an androgen receptor modulator SHBG, AR, BRCA1 SRD5A1 28/4885SRD5A2 36/4885
US-20090048283-A1 Salt of an androgen receptor modulator AR, SHBG, FSHR SRD5A1 29/4885SRD5A2 42/4885

“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.