SCHEMBL7142783

SCHEMBL7142783

C[C@]12CCC(=O)NC1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=S)c3ccccn3)CC[C@@H]12

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 5/20 0.61
SRD5A1 P18405 3/20 0.61
AR P10275 1/20 0.61

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
SCHEMBL7624258 1.00 SRD5A2 (0.61) SRD5A2SRD5A1AR
SCHEMBL9129526 0.85 SRD5A2 (0.59) SRD5A2SRD5A1AR
SCHEMBL9542235 0.83 SRD5A1 (0.41) SRD5A2SRD5A1AR
SCHEMBL9542228 0.83 SRD5A1 (0.41) SRD5A2SRD5A1AR
SCHEMBL7622722 0.81 SRD5A2 (0.61) SRD5A2SRD5A1AR
SCHEMBL8543608 0.76 SRD5A2 (0.52) SRD5A2SRD5A1AR
SCHEMBL8543612 0.76 SRD5A2 (0.52) SRD5A2SRD5A1AR
SCHEMBL5907001 0.76 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL14477862 0.76 SRD5A2 (0.73) SRD5A2SRD5A1AR
SCHEMBL13844000 0.76 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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0778284-B1 New 7-beta-substituted-4-aza-5alpha-androstan-3-ones as 5alpha-reductase inhibitors MERCK & CO INC (US) 2003-11-26 EP 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
EP-0674521-B1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17$g(b)-N-TERTBUTYLCARBAMOYL-4-AZA-5$g(a)-ANDROST-1-EN-3-ONE MERCK & CO INC (US) 2001-07-18 EP disclosed
US-6046183-A SYNERGISTIC MIXTURE OF FINASTERIDE AND DOXAZOSIN MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-5994362-A ADMINISTERING FINASTERIDE AND CASODEX MERCK & CO., INC. (US) 1999-11-30 US disclosed
US-5753641-A SYNERGISTIC THERAPY COMPRISING FINASTERIDE AND TERAZOSIN DRUGS MERCK & CO., INC. (US) 1998-05-19 US disclosed
EP-0674521-A4 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17-g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5-g(a)-ANDROST-1-EN-3-ONES. MERCK & CO INC (US) 1998-02-04 EP disclosed
US-5710275-A ENZYME AND HORMONE INHIBITORS MERCK & CO., INC. (US) 1998-01-20 US disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO 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
WO-1992018132-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF BENIGN PROSTATIC HYPERPLASIA COMTAINING A 5 ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1992-10-29 WO disclosed
WO-1992016213-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC HYPERPLASIA, CONTAINING A 5 ALPHA-REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
WO-1992016233-A1 PHARMACEUTICAL COMBINATION FOR THE TREATMENT OF PROSTATIC CANCER CONTAINING A 5 ALPHA REDUCTASE INHIBITOR AND AN ANTIANDROGEN MERCK & CO., INC. (US) 1992-10-01 WO disclosed
EP-0462662-A2 17beta-N-monosubstituted adamantyl/norbornanyl carbamoyl-4-aza-5alpha-androst-1-en-3-ones and androstan-3-ones MERCK & CO. INC. (US) 1991-12-27 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
US-4760071-A Enzyme inhibitor MERCK & CO., INC. (US) 1988-07-26 US 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-20010049376-A1 Method of prevention of prostatic carcinoma with 17beta-N-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones NR5A1, CYP17A1, HSD17B7 SRD5A2 11/4885SRD5A1 8/4885AR 4/4885

“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.