SCHEMBL950693

SCHEMBL950693

C[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(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
SCHEMBL12384444 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL12423998 1.00 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL950691 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 92 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2013001322-A1 PROCESS FOR THE SYNTHESIS OF (5α,17β)-N-[(2,5-BIS(TRIFLUOROMETHYL)-PHENYL]-3-OXO-4-AZA-5-ANDROST-1-ENE-17-CARBOXAMIDE RICHTER GEDEON NYRT. (HU) 2013-01-03 WO disclosed
WO-2013001322-A1 PROCESS FOR THE SYNTHESIS OF (5α,17β)-N-[(2,5-BIS(TRIFLUOROMETHYL)-PHENYL]-3-OXO-4-AZA-5-ANDROST-1-ENE-17-CARBOXAMIDE RICHTER GEDEON NYRT. (HU) 2013-01-03 WO disclosed
US-7872135-B2 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2011-01-18 US disclosed
US-7531658-B2 Reacting 17-carboxylic acid-3-oxo-4-azasteroid with carbonyl- or sulfinyl-diimidazole and amidating the product with an amime in the presence of a heterocyclic hydroxyl activator; avoids the use of expensive and moisture sensitive organomagnesium halide; preparing Finasteride and Dutasteride APOTEX PHARMACHEM INC. (CA) 2009-05-12 US disclosed
WO-2008101308-A1 PROCESS FOR THE PREPARATION OF 17-N-SUBSTITUTED-CARBAMOYL-4-AZA-ANDROST-1 -EN-3-ONES APOTEX PHARMACHEM INC. (CA) 2008-08-28 WO disclosed
US-20070173523-A1 Process for the preparation of 17-N-substituted-carbamoyl-4-aza-androst-1-en-3-ones APOTEX PHARMACHEM INC. (CA) 2007-07-26 US disclosed
EP-1539703-A4 METHOD FOR THE SELECTIVE PREPARATION OF 3-OXO-4-AZA-5A-ANDROSTANE COMPOUND HANMI PHARM IND CO LTD (KR) 2007-02-21 EP disclosed
US-7164022-B2 Process for the preparation of pure Finasteride AUROBINDO PHARMA LTD. (IN) 2007-01-16 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-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-0285382-A2 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 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-20070173523-A1 Process for the preparation of 17-N-substituted-carbamoyl-4-aza-androst-1-en-3-ones CYP17A1, CYP19A1, NR5A1 SRD5A2 15/4885SRD5A1 16/4885AR 27/4885
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.