SCHEMBL5183889

SCHEMBL5183889

C[C@@]12CCC[C@H]1[C@@H]1CC=C3NC(=O)CC[C@]3(C)[C@@H]1CC2

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 2/20 0.53
CYP19A1 P11511 12/20 0.44
CYP17A1 P05093 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL5183886 1.00 SRD5A1 (0.53) SRD5A1CYP19A1CYP17A1SRD5A2
SCHEMBL6673554 0.84 SRD5A1 (0.42) SRD5A1SRD5A2
SCHEMBL3797856 0.84 CYP19A1 (0.58) SRD5A1CYP19A1
SCHEMBL7529519 0.84 CYP19A1 (0.58) SRD5A1CYP19A1
SCHEMBL8707348 0.83 SRD5A1 (0.51) SRD5A1CYP19A1
SCHEMBL3802034 0.81 SRD5A1 (0.53) SRD5A1CYP19A1CYP17A1SRD5A2
SCHEMBL6673559 0.80 KDM4E (0.44) SRD5A1SRD5A2
SCHEMBL8707338 0.80 CYP19A1 (0.46) CYP19A1
SCHEMBL6678791 0.80 CYP19A1 (0.40) CYP19A1
SCHEMBL6678788 0.80 CYP19A1 (0.40) CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1335930-B1 Process for the preparation of 3-oxo-4-azasteroids GLAXO GROUP LTD (GB) 2004-10-13 EP claimed
US-6794508-B2 Process SMITHKLINE BEECHAM CORPORATION 2004-09-21 US claimed
US-20040049042-A1 Process SMITHKLINE BEECHAM CORPORATION 2004-03-11 US claimed
EP-1335930-A2 PROCESS GLAXO GROUP LIMITED (GB) 2003-08-20 EP claimed
WO-2002046207-A2 PROCESS GLAXO GROUP LIMITED (GB) 2002-06-13 WO claimed
EP-1539703-A4 METHOD FOR THE SELECTIVE PREPARATION OF 3-OXO-4-AZA-5A-ANDROSTANE COMPOUND HANMI PHARM IND CO LTD (KR) 2007-02-21 EP disclosed
EP-1539703-A4 METHOD FOR THE SELECTIVE PREPARATION OF 3-OXO-4-AZA-5A-ANDROSTANE COMPOUND HANMI PHARM IND CO LTD (KR) 2007-02-21 EP disclosed
US-7084274-B2 Method for the selective preparation of 3-oxo-4-aza-5α-androstane compound HANMI PHARM. CO., LTD. (KR) 2006-08-01 US disclosed
US-7084274-B2 Method for the selective preparation of 3-oxo-4-aza-5α-androstane compound HANMI PHARM. CO., LTD. (KR) 2006-08-01 US disclosed
US-20060019979-A1 Method for the selective preparation of 3-oxo-4-aza-5a androstane compound HANMI PHARM. CO., LTD (KR) 2006-01-26 US disclosed
US-20060019979-A1 Method for the selective preparation of 3-oxo-4-aza-5a androstane compound HANMI PHARM. CO., LTD (KR) 2006-01-26 US disclosed
EP-1539703-A1 METHOD FOR THE SELECTIVE PREPARATION OF 3-OXO-4-AZA-5A-ANDROSTANE COMPOUND Hanmi Pharm. Co., Ltd. (KR) 2005-06-15 EP disclosed
WO-1993023420-A1 NEW 7β-SUBSTITUTED-4-AZA-5α-ANDROSTAN-3-ONES AS 5α-REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1993-11-25 WO disclosed
US-5237064-A Process for producing 7β-substituted-aza-5αandrostan-3-ones MERCK & CO., INC. (US) 1993-08-17 US disclosed
WO-1993014762-A1 17β-HYDROXYBENZOYL-4-AZA-5α-ANDROST-1-EN-3-ONES USEFUL TO TREAT BALDNESS MERCK & CO., INC. (US) 1993-08-05 WO disclosed
EP-0004949-B1 4-AZA-17-SUBSTITUTED-5-ALPHA-ANDROSTAN-3-ONE, THEIR A AND D HOMO ANALOGS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM MERCK & CO. INC. (US) 1983-09-21 EP disclosed
US-4377584-A 4-Aza-17β-substituted-5α-androstan-3-one-reductase inhibitors MERCK & CO., INC. (US) 1983-03-22 US 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
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
EP-0004949-A1 4-Aza-17-substituted-5-alpha-androstan-3-one, their A and D homo analogs, process for their preparation and pharmaceutical compositions containing them MERCK & CO. INC. (US) 1979-10-31 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 (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-20060019979-A1 Method for the selective preparation of 3-oxo-4-aza-5a androstane compound HSD3B2, CYP19A1, CYP17A1 SRD5A1 11/4885CYP19A1 2/4885CYP17A1 3/4885
US-20040049042-A1 Process SRD5A2, SRD5A1, HSD3B1 SRD5A1 2/4885CYP19A1 18/4885CYP17A1 5/4885

“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.