SCHEMBL4012146

SCHEMBL4012146

COC(=O)C1CC[C@H]2[C@@H]3CC=C4N(C)C(=O)CC[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.61
SRD5A2 P31213 7/20 0.55
PSEN1 P49768 1/20 0.47
PSEN2 P49810 1/20 0.47
APH1B Q8WW43 1/20 0.47
NCSTN Q92542 1/20 0.47
APH1A Q96BI3 1/20 0.47
PSENEN Q9NZ42 1/20 0.47

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
SCHEMBL4012144 1.00 SRD5A1 (0.61) SRD5A1SRD5A2PSEN1PSEN2APH1B
SCHEMBL14214561 1.00 SRD5A1 (0.61) SRD5A1SRD5A2PSEN1PSEN2APH1B
SCHEMBL14184971 1.00 SRD5A1 (0.61) SRD5A1SRD5A2PSEN1PSEN2APH1B
SCHEMBL9022079 0.89 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL9022075 0.89 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL29059721 0.89 SRD5A1 (0.64) SRD5A1
SCHEMBL11416876 0.89 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL5218487 0.89 SRD5A1 (0.64) SRD5A1SRD5A2
SCHEMBL14359701 0.88 SRD5A2 (0.53) SRD5A1SRD5A2PSEN1PSEN2APH1B
SCHEMBL8707080 0.85 SRD5A2 (0.65) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7625919-B2 4-azasteroid derivatives as androgen receptor modulators MERCK & CO., INC. (US) 2009-12-01 US disclosed
EP-1734964-A4 17 BETA-ACETAMIDE-4-AZASTEROIDS AS ANDROGEN RECEPTOR MODULATORS MERCK & CO INC (US) 2009-06-17 EP disclosed
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators MERCK SHARP & DOHME CORP. 2008-05-29 US disclosed
EP-1734964-A1 17 BETA-ACETAMIDE-4-AZASTEROIDS AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2006-12-27 EP disclosed
US-20060281761-A1 4-azasteroid derivatives as androgen receptor modulators MERCK SHARP & DOHME CORP. 2006-12-14 US disclosed
WO-2005099707-A1 17 BETA-ACETAMIDE-4-AZASTEROIDS AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2005-10-27 WO disclosed
US-20050131005-A1 4-azasteroid derivatives as androgen receptor modulators WANG JIABING (US) 2005-06-16 US disclosed
EP-1501512-A2 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS Merck & Co., Inc. (US) 2005-02-02 EP disclosed
WO-2003092588-A2 4-AZASTEROID DERIVATIVES AS ANDROGEN RECEPTOR MODULATORS MERCK & CO., INC. (US) 2003-11-13 WO 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-20060281761-A1 4-azasteroid derivatives as androgen receptor modulators NR5A1, AR, NR3C1 SRD5A1 5/4885SRD5A2 9/4885PSEN1 1490/4885
US-20050131005-A1 4-azasteroid derivatives as androgen receptor modulators AR, NR5A1, NR3C1 SRD5A1 5/4885SRD5A2 9/4885PSEN1 1402/4885
US-20080125399-A1 17 Beta-Acetamide-4-Azasteroids As Androgen Receptor Modulators AR, CYP17A1, SHBG SRD5A1 18/4885SRD5A2 20/4885PSEN1 1271/4885

“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.