SCHEMBL3505328

SCHEMBL3505328

C[C@]12C=CC(=O)N[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](CC(=O)O)CC[C@@H]12

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.62
SRD5A2 P31213 10/20 0.62
LMNA P02545 2/20 0.62
CYP3A4 P08684 2/20 0.62
CYP2C9 P11712 2/20 0.62
CYP2C19 P33261 2/20 0.62
ABCC4 O15439 1/20 0.62
ABCB11 O95342 1/20 0.62
ADORA3 P0DMS8 1/20 0.62
CHRM1 P11229 1/20 0.62
HSD3B1 P14060 1/20 0.62
NFKB1 P19838 1/20 0.62
MAPK1 P28482 1/20 0.62
THPO P40225 1/20 0.62
BLM P54132 1/20 0.62

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
SCHEMBL13403374 1.00 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8726851 0.90 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8726862 0.90 SRD5A1 (0.60) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14336564 0.89 SRD5A1 (0.61) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL25771570 0.88 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8156525 0.88 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8156524 0.88 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL25772413 0.88 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8679765 0.87 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8679763 0.87 SRD5A1 (0.62) SRD5A1SRD5A2LMNACYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696217-B2 17-acetamido-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. (US) 2010-04-13 US disclosed
EP-1641535-A4 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2008-05-14 EP disclosed
US-7312229-B2 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2007-12-25 US disclosed
US-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2007-04-19 US disclosed
EP-1696925-A2 21-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-09-06 EP disclosed
EP-1641535-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
US-RE39056-E1 4-Azasteroids for treatment of hyperandrogenic conditions MERCK & CO, INC. (US) 2006-04-04 US disclosed
WO-2005044988-A2 21-HETEROCYCLIC-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-05-19 WO disclosed
WO-2005005380-A2 17-ACETAMIDO-4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-01-20 WO disclosed
US-6001844-A 4-Azasteroids for treatment of hyperandrogenic conditions MERCK & CO., INC. (US) 1999-12-14 US disclosed
EP-0641209-A4 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS. MERCK & CO INC (US) 1995-08-23 EP disclosed
EP-0641209-A1 NEW 17-ESTER, AMIDE, AND KETONE DERIVATIVES OF 3-OXO-4-AZASTEROIDS AS 5A-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1995-03-08 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-20070088047-A1 21-Heterocyclic-4-azasteroid derivatives as androgen receptor modulators NR5A1, AR, NR3C1 SRD5A1 11/4885SRD5A2 17/4885LMNA 3238/4885

“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.