SCHEMBL950691

SCHEMBL950691

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

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.73
SRD5A1 P18405 3/20 0.70
AR P10275 1/20 0.70

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
SCHEMBL950693 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL12384444 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL12423998 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL5907001 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL13844000 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL9150743 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14477867 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14397354 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL28559933 0.90 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14477862 0.90 SRD5A2 (0.73) 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 104 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101775064-B Synthesis method of 3-carbonyl-4-azepine-5alpha-androstane compound CHANGZHOU JIAERKE PHARMACEUTICALS GROUP CORP LTD 2012-08-22 CN claimed
CN-101775064-A Synthesis method of 3-carbonyl-4-azepine-5alpha-androstane compound CHANGZHOU JIAERKE PHARMACEUTIC 2010-07-14 CN claimed
US-20050059692-A1 Process for the preparation of 17beta-N-[2,5-bis(trifluoromethyl)phenyl] carbamoyl-4-aza-5-alpha-androst-1-en-3-one DR. REDDY'S LABORATORIES LIMITED 2005-03-17 US claimed
EP-0298652-B1 Dehydrogenation process and intermediates MERCK & CO INC (US) 1995-01-18 EP claimed
US-5084574-A Reacting a 3-oxo-4-azasteroid with a silyating agent and quinone to form a double bond at the #1 ring position MERCK & CO., INC. (US) 1992-01-28 US claimed
EP-0298652-A2 Dehydrogenation process and intermediates MERCK & CO. INC. (US) 1989-01-11 EP claimed
CN-119661626-A Synthesis method of dutasteride impurity 湖南科瑞生物制药股份有限公司 2025-03-21 CN disclosed
CN-103207245-A Method of separating and determining dutasteride intermediate and optical isomers thereof by using liquid chromatography BEIJING WANQUAN DEZHONG MEDICAL BIOLOG TECHNOLOGY CO LTD 2013-07-17 CN disclosed
CN-103059097-A Preparation method of dutasteride intermediate LIANYUNGANG RUNZHONG PHARMACEUTICAL CO LTD 2013-04-24 CN disclosed
CN-102838653-A Preparation method of 3-carbonyl-4-aza-5 alpha-androstane compound CHONGQING PHARM RES INST CO 2012-12-26 CN disclosed
CN-101456897-B Method for preparing 3-carbonyl-4-aza-5alpha-androstanes CHANGZHOU JIAERKE PHARMACEUTICALS GROUP CO LTD 2012-10-17 CN disclosed
CN-101775064-B Synthesis method of 3-carbonyl-4-azepine-5alpha-androstane compound CHANGZHOU JIAERKE PHARMACEUTICALS GROUP CORP LTD 2012-08-22 CN disclosed
CN-101693733-B Method for synthesizing 3-carbonyl-4-aza-5alpha- androstane CHANGZHOU JIAERKE PHARMACEUTICAL GROUP CO LTD 2012-01-04 CN disclosed
US-5049562-A Enzyme inhibitors, antiandrogens MERCK & CO., INC. (US) 1991-09-17 US disclosed
EP-0414490-A2 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-one as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1991-02-27 EP disclosed
EP-0414491-A2 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-ones as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1991-02-27 EP disclosed
US-4859681-A 17 α-Acyl-4-aza-5a-androst-1-en-3-ones as 5 alpha-reductase inhibitors MERCK & CO., INC. (US) 1989-08-22 US disclosed
EP-0298652-A2 Dehydrogenation process and intermediates MERCK & CO. INC. (US) 1989-01-11 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 (1 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-20050059692-A1 Process for the preparation of 17beta-N-[2,5-bis(trifluoromethyl)phenyl] carbamoyl-4-aza-5-alpha-androst-1-en-3-one NR5A1, CYP17A1, CYP19A1 SRD5A2 8/4885SRD5A1 7/4885AR 36/4885

“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.