Sugi Predict

Sugi Predict / Compounds / SCHEMBL790855

SCHEMBL790855

SCHEMBL790855

COC(=O)C1CC[C@H]2[C@@H]3CCC4NC(=O)C=C[C@]4(C)[C@@H]3CC[C@]12C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SRD5A1 P18405 12/20 0.73
▸ SRD5A2 P31213 7/20 0.73
▸ LMNA P02545 2/20 0.73
▸ CYP3A4 P08684 2/20 0.73
▸ CYP2C9 P11712 2/20 0.73
▸ CYP2C19 P33261 2/20 0.73
▸ ABCC4 O15439 1/20 0.73
▸ ABCB11 O95342 1/20 0.73
▸ ADORA3 P0DMS8 1/20 0.73
▸ CHRM1 P11229 1/20 0.73
▸ HSD3B1 P14060 1/20 0.73
▸ NFKB1 P19838 1/20 0.73
▸ MAPK1 P28482 1/20 0.73
▸ THPO P40225 1/20 0.73
▸ BLM P54132 1/20 0.73

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
SCHEMBL797723 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790854 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14295225 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13970874 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14355654 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13950489 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL13403338 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL24503471 0.88 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790006 0.88 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14477868 0.88 SRD5A1 (0.74) 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 74 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-1093600-A — — None — — JP disclosed
JP-4288096-A — — None — — JP disclosed
WO-2012035553-A1 PROCESS FOR PREPARING ANDROSTENONE DERIVATIVES IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-22 — — WO disclosed
US-7872135-B2 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2011-01-18 — — US disclosed
EP-1437361-B1 METHOD OF PRODUCING 17BETA-(SUBSTITUTED)-3-OXO-DELTA 1,2-4-AZASTEROIDS RAGACTIVES SL (ES) 2007-10-31 — — EP disclosed
EP-1420796-A4 ANDROGEN RECEPTOR MODULATORS AND METHODS OF USE THEREOF MERCK & CO INC (US) 2007-07-11 — — EP disclosed
US-7057045-B2 Process for obtaining 17β-(substituted)-3-oxo-Δ1,2-4-azasteroids and intermediates RAGACTIVES, S.L. (ES) 2006-06-06 — — US disclosed
US-20060100434-A1 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds SIEGFRIED LTD. (CH) 2006-05-11 — — US disclosed
US-20040254209-A1 Process for obtaining 17beta-(substituted)-3-oxo-delta 1,2-4-azasteroids and intermediates RAGACTIVES, S.L. 2004-12-16 — — US disclosed
EP-1437361-A2 METHOD OF PRODUCING 17BETA-(SUBSTITUTED)-3-OXO-DELTA 1,2-4-AZASTEROIDS AND INTERMEDIATES Ragactives, S.L. (ES) 2004-07-14 — — EP disclosed
EP-0314199-B1 17 BETA-SUBSTITUTED-4-AZA-5 ALPHA-ANDROSTENONES AND THEIR USE AS 5 ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1991-09-18 — — EP disclosed
EP-0414490-A2 17 Beta-acyl-4-aza-5 alpha-androst-1-ene-3-one as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1991-02-27 — — EP disclosed
EP-0155096-B1 17 BETA-SUBSTITUTED-4-AZA-5-ALPHA-ANDROSTENONES AND THEIR USE AS 5-ALPHA-REDUCTASE INHIBITORS MERCK & CO. INC. (US) 1989-10-04 — — EP disclosed
EP-0314199-A1 17 Beta-substituted-4-aza-5 alpha-androstenones and their use as 5 alpha-reductase inhibitors MERCK & CO. INC. (US) 1989-05-03 — — EP disclosed
JP-H0193600-A 17BETA-ACYL-4-AZA-5ALPHA-ANDROST-1-EN-3-ONE AS INHIBITOR OF 5ALPHA-REDUCTASE MERCK & CO INC 1989-04-12 — — JP disclosed
EP-0285383-A2 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 — — EP disclosed
EP-0285382-A2 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO. INC. (US) 1988-10-05 — — EP disclosed
US-4760071-A Enzyme inhibitor MERCK & CO., INC. (US) 1988-07-26 — — US disclosed
EP-0271219-A1 Topical pharmaceutical composition containing 17-beta-methoxycarbonyl-4-methyl-4-aza-5-alpha-androst-1-en-3-one MERCK & CO. INC. (US) 1988-06-15 — — EP disclosed
EP-0155096-A2 17 Beta-Substituted-4-aza-5-alpha-androstenones and their use as 5-alpha-reductase inhibitors MERCK & CO. INC. (US) 1985-09-18 — — 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-20040254209-A1 Process for obtaining 17beta-(substituted)-3-oxo-delta 1,2-4-azasteroids and intermediates SRD5A2, HSD3B1, HSD3B2 SRD5A1 4/4885SRD5A2 1/4885LMNA 3997/4885
US-20060100434-A1 Method for introducing a 1,2-double bond into 3-oxo-4-azasteroid compounds NR3C2, NR5A1, CYP11B1 SRD5A1 14/4885SRD5A2 7/4885LMNA 1712/4885

“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.