SCHEMBL4187752

SCHEMBL4187752

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

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.72
SRD5A2 P31213 1/20 0.72

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
SCHEMBL9349878 1.00 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL4187755 1.00 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL8021083 1.00 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL13604091 1.00 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL8724807 0.92 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL9571051 0.90 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL13604098 0.90 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL2376048 0.90 SRD5A1 (0.72) SRD5A1SRD5A2
SCHEMBL11424034 0.89 SRD5A1 (0.71) SRD5A1SRD5A2
SCHEMBL11424038 0.89 SRD5A1 (0.71) SRD5A1SRD5A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625920-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2009-03-26 US disclosed
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MEISSNER ROBERT S 2007-04-19 US disclosed
US-7186838-B2 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-03-06 US disclosed
US-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2005-07-28 US disclosed
EP-1485095-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2004-12-15 EP disclosed
WO-2003077919-A1 FLUORINATED 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-09-25 WO disclosed
EP-0664812-B1 17-BETA-ARYL ESTER CARBOXYLATES OF 4-AZA-5-ALPHA-ANDROSTANE-3-ONES MERCK & CO INC (US) 2000-01-05 EP disclosed
EP-0538192-B1 New 17-beta-substituted aza-androstanderivatives CIBA GEIGY AG (CH) 1997-04-23 EP disclosed
EP-0484094-B1 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO CO (JP) 1996-06-26 EP disclosed
US-5302621-A Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO COMPANY, LIMITED (JP) 1994-04-12 US disclosed
US-5278159-A Steroid enzyme inhibitor MERCK & CO., INC. (US) 1994-01-11 US disclosed
EP-0538192-A1 New 17-beta-substituted aza-androstanderivatives CIBA-GEIGY AG (CH) 1993-04-21 EP disclosed
US-5155107-A Inhibiting androgen action, anticarcinogenic agents, treating skin disorders, baldness FARMITALIA CARLO ERBA (IT) 1992-10-13 US disclosed
EP-0484094-A2 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use Sankyo Company Limited (JP) 1992-05-06 EP disclosed
EP-0468012-A1 17-g(b)-SUBSTITUTED-4-AZA-5-g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION. ERBA CARLO SPA (IT) 1992-01-29 EP disclosed
WO-1991012261-A1 17β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION FARMITALIA CARLO ERBA S.R.L. (IT) 1991-08-22 WO disclosed
US-4845104-A Oxidized analogs of 17β-N-monosubstituted-carbamoyl-4-aza-5-α-androstan-3-ones MERCK & CO., INC. (US) 1989-07-04 US disclosed
EP-0271220-A1 Oxidized analogs of 17 beta-N-monosubstituted carbamoyl-4-aza 5 alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-06-15 EP disclosed
US-4220775-A Preparation of 4-aza-17-substituted-5α-androstan-3-ones useful as 5α-reductase inhibitors MERCK & CO., INC. (US) 1980-09-02 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 (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-20050165039-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 SRD5A1 8/4885SRD5A2 12/4885
US-20070088042-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 SRD5A1 8/4885SRD5A2 12/4885
US-20090082320-A1 Fluorinated 4-azasteroid derivatives as androgen receptor modulators FSHR, AR, NR5A1 SRD5A1 8/4885SRD5A2 12/4885

“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.