SCHEMBL4608726

SCHEMBL4608726

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

nearest known ligand 0.80

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.72
SRD5A1 P18405 3/20 0.66
AR P10275 1/20 0.66

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
SCHEMBL3864858 1.00 SRD5A2 (0.72) SRD5A2SRD5A1AR
SCHEMBL14397354 0.89 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL28559933 0.89 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14477867 0.89 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14477862 0.89 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL950691 0.89 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL5907001 0.89 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL950693 0.89 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL13844000 0.89 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL12423998 0.89 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1622567-B1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME (US) 2013-07-24 EP disclosed
EP-1945615-A2 PREPARATION OF DUTASTERIDE Dr. Reddy's Laboratories Ltd. (IN) 2008-07-23 EP disclosed
US-20080119503-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2008-05-22 US disclosed
US-7351698-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2008-04-01 US disclosed
WO-2007120263-A2 PREPARATION OF DUTASTERIDE DR. REDDY'S LABORATORIES LTD. (IN) 2007-10-25 WO disclosed
EP-1420796-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-07-11 EP disclosed
US-20060241107-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME LLC 2006-10-26 US disclosed
EP-1420796-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF Merck & Co., Inc. (US) 2004-05-26 EP disclosed
US-6645974-B2 Administering an androstamide compound; osteoporosis, anticancer agents, glandular disorders MERCK & CO., INC. 2003-11-11 US disclosed
US-20030065004-A1 Androgen receptor modulators and methods for use thereof MERCK SHARP & DOHME CORP. 2003-04-03 US disclosed
WO-2003011302-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO., INC. (US) 2003-02-13 WO disclosed
EP-0547691-B1 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) 1997-03-19 EP disclosed
WO-1994022900-A1 AZA-ANDROSTANE-17β-CARBOXAMIDES CIBA-GEIGY AG (CH) 1994-10-13 WO disclosed
EP-0285382-B1 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO INC (US) 1994-04-13 EP disclosed
EP-0285383-B1 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO INC (US) 1994-03-16 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

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-20030065004-A1 Androgen receptor modulators and methods for use thereof AR, FSHR, SHBG SRD5A2 80/4885SRD5A1 58/4885AR 1/4885
US-20060241107-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR SRD5A2 57/4885SRD5A1 42/4885AR 3/4885
US-20080119503-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR SRD5A2 57/4885SRD5A1 42/4885AR 3/4885

“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.