SCHEMBL6398145

SCHEMBL6398145

CCC(C)(C)NC(=O)C1CC[C@H]2[C@@H]3CCC4N(C)C(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.63
SRD5A2 P31213 2/20 0.59
KCNH2 Q12809 1/20 0.56
LMNA P02545 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
ABCC4 O15439 1/20 0.54
ABCB11 O95342 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
CHRM1 P11229 1/20 0.54
HSD3B1 P14060 1/20 0.54
SRD5A1 P18405 1/20 0.54
NFKB1 P19838 1/20 0.54
MAPK1 P28482 1/20 0.54
THPO P40225 1/20 0.54
BLM P54132 1/20 0.54

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
SCHEMBL6403111 0.93 AR (0.62) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7624022 0.92 AR (0.62) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7621288 0.92 AR (0.62) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL17471494 0.91 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7790540 0.91 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7622136 0.91 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL10521077 0.91 AR (0.67) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL7622038 0.89 AR (0.61) ARSRD5A2KCNH2LMNACYP3A4
SCHEMBL11005803 0.88 AR (0.68) ARSRD5A2KCNH2
SCHEMBL11005799 0.88 AR (0.68) ARSRD5A2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
US-20050049232-A1 Composition LINDAU PAR (SE) 2005-03-03 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
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-1994015602-A1 COMBINATION METHOD FOR TREATING PATTERNED ALOPECIA WITH 17β-N-SUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES AND MINOXIDIL MERCK & CO., INC. (US) 1994-07-21 WO 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
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-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-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 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-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 (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-20010049376-A1 Method of prevention of prostatic carcinoma with 17beta-N-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones NR5A1, CYP17A1, HSD17B7 AR 4/4885SRD5A2 11/4885KCNH2 3262/4885
US-20050049232-A1 Composition CUTA, LIPG, LIPA AR 220/4885SRD5A2 1341/4885KCNH2 1039/4885

“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.