SCHEMBL5247649

SCHEMBL5247649

CN1C(=O)C=C[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 3)

geneUniProtsupporting neighboursconfidence
AR P10275 7/20 0.74
SRD5A2 P31213 1/20 0.66
KCNH2 Q12809 5/20 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
SCHEMBL13403347 1.00 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5874196 1.00 AR (0.74) ARSRD5A2KCNH2
SCHEMBL5116733 0.91 AR (0.74) ARSRD5A2KCNH2
SCHEMBL14013760 0.91 AR (0.74) ARSRD5A2KCNH2
SCHEMBL7615006 0.90 AR (0.72) ARSRD5A2KCNH2
SCHEMBL7614998 0.90 AR (0.72) ARSRD5A2KCNH2
SCHEMBL8150406 0.89 AR (0.67) ARSRD5A2KCNH2
SCHEMBL5247468 0.88 AR (0.58) ARSRD5A2KCNH2
SCHEMBL5339929 0.88 AR (0.58) ARSRD5A2KCNH2
SCHEMBL8410044 0.88 AR (0.70) 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 23 patents — showing the first 20. 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
US-20080119503-A1 Androgen receptor modulators and methods of use thereof MERCK SHARP & DOHME CORP. 2008-05-22 US 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
US-7351698-B2 Androgen receptor modulators and methods of use thereof MERCK & CO., INC. (US) 2008-04-01 US disclosed
EP-1420796-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-07-11 EP disclosed
US-RE39056-E1 4-Azasteroids for treatment of hyperandrogenic conditions MERCK & CO, INC. (US) 2006-04-04 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
EP-0484094-B1 Azasteroid compounds for the treatment of prostatic hypertrophy, their preparation and use SANKYO CO (JP) 1996-06-26 EP disclosed
EP-0468012-B1 17$g(b)-SUBSTITUTED-4-AZA-5$g(a)-ANDROSTAN-3-ONE DERIVATIVES AND PROCESS FOR THEIR PREPARATION PHARMACIA SPA (IT) 1995-09-20 EP disclosed
WO-1994022900-A1 AZA-ANDROSTANE-17β-CARBOXAMIDES CIBA-GEIGY AG (CH) 1994-10-13 WO disclosed
US-5304562-A Inhibitors of 5-alpha-reductase; treating prostate disorders CIBA-GEIGY CORPORATION (US) 1994-04-19 US 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
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
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 (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-20030065004-A1 Androgen receptor modulators and methods for use thereof AR, FSHR, SHBG AR 1/4885SRD5A2 80/4885KCNH2 4717/4885
US-20080119503-A1 Androgen receptor modulators and methods of use thereof SHBG, FSHR, AR AR 3/4885SRD5A2 57/4885KCNH2 4688/4885

“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.