SCHEMBL7790540

SCHEMBL7790540

CN1C(=O)C=C[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)NC(C)(C)C)CC[C@H]4[C@@H]3CC[C@@H]12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.67
SRD5A2 P31213 4/20 0.66
LMNA P02545 2/20 0.66
CYP3A4 P08684 2/20 0.66
CYP2C9 P11712 2/20 0.66
CYP2C19 P33261 2/20 0.66
SRD5A1 P18405 2/20 0.66
ABCC4 O15439 1/20 0.66
ABCB11 O95342 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CHRM1 P11229 1/20 0.66
HSD3B1 P14060 1/20 0.66
NFKB1 P19838 1/20 0.66
MAPK1 P28482 1/20 0.66
THPO P40225 1/20 0.66
BLM P54132 1/20 0.66
KCNH2 Q12809 1/20 0.59

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
SCHEMBL10521077 1.00 AR (0.67) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL7622136 1.00 AR (0.67) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL17471494 1.00 AR (0.67) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL9215543 0.93 AR (0.63) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL9215549 0.93 AR (0.63) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL9214265 0.91 AR (0.62) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL9214280 0.91 AR (0.62) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL6398145 0.91 AR (0.63) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL8823391 0.90 AR (0.62) ARSRD5A2LMNACYP3A4CYP2C9
SCHEMBL9307530 0.90 AR (0.62) ARSRD5A2LMNACYP3A4CYP2C9

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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
US-5693809-A PREGNANES FOR TREATING ALOPECIA, ACNE AND SKIN DISORDER MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5629318-A Method of treatment of chronic prostatitis with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. (US) 1997-05-13 US 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
US-5571817-A WHICH ARE TESTOSTERONE-REDUCTASE INHIBITORS;TOPICAL APPLICATION MERCK & CO., INC. (US) 1996-11-05 US disclosed
US-5567708-A APPLYING A HORMONE INHIBITOR MERCK & CO., INC. (US) 1996-10-22 US 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
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
US-4760071-A Enzyme inhibitor MERCK & CO., INC. (US) 1988-07-26 US 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-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 11/4885LMNA 3244/4885

“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.