SCHEMBL8020644

SCHEMBL8020644

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

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 11/20 0.73
SRD5A2 P31213 9/20 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
SCHEMBL1108297 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8020647 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8716402 1.00 SRD5A1 (0.73) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8573691 0.90 SRD5A2 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL1108300 0.90 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL24503471 0.90 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9233678 0.90 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14477868 0.90 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL14536870 0.90 SRD5A1 (0.74) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL790006 0.90 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8563728-B2 Process for the preparation of Dutasteride AUROBINDO PHARMA LTD. (IN) 2013-10-22 US disclosed
US-8563728-B2 Process for the preparation of Dutasteride AUROBINDO PHARMA LTD. (IN) 2013-10-22 US disclosed
US-20120157683-A1 PROCESS FOR THE PREPARATION OF DUTASTERIDE AUROBINDO PHARMA LTD (IN) 2012-06-21 US disclosed
US-20120157683-A1 PROCESS FOR THE PREPARATION OF DUTASTERIDE AUROBINDO PHARMA LTD (IN) 2012-06-21 US disclosed
US-6114345-A Phenylsubstituted 4-azasteroid fluoroderivatives PHARMACIA & UPJOHN, S.P.A. (IT) 2000-09-05 US disclosed
EP-0902790-B1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN SPA (IT) 2000-08-16 EP disclosed
EP-0793671-B1 PHENYLSUBSTITUTED 4-AZASTEROID FLUORODERIVATIVES PHARMACIA & UPJOHN SPA (IT) 2000-02-09 EP disclosed
US-5922728-A N-(PHENYLPERFLUOROALKYL)-3-OXO-4-AZA-5ALPHA-(ANDROSTANE OR ANDROST-1-ENE)-17BETA-CARBOXAMIDE DERIVATIVES, METHODS OF SYNTHESIZING THEM AND THEIR USE FOR TREATING PROSTATIC HYPERPLASIA PHARMACIA & UPJOHN, S.P.A. (IT) 1999-07-13 US disclosed
EP-0902790-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.p.A. (IT) 1999-03-24 EP disclosed
US-5846976-A Androstenone derivative GLAXO WELLCOME INC. (US) 1998-12-08 US disclosed
WO-1997040062-A1 PROCESS FOR PREPARING STEROIDS HAVING A CARBOXAMIDE SIDE-CHAIN PHARMACIA & UPJOHN S.P.A. (IT) 1997-10-30 WO disclosed
EP-0793671-A1 PHENYLSUBSTITUTED 4-AZASTEROID FLUORODERIVATIVES PHARMACIA & UPJOHN S.p.A. (IT) 1997-09-10 EP disclosed
WO-1997010257-A1 PHENYLSUBSTITUTED 4-AZASTEROID FLUORODERIVATIVES PHARMACIA & UPJOHN S.P.A. (IT) 1997-03-20 WO disclosed
US-5565467-A 17-BETA-N-(2,5-BIS(TRIFLUOROMETHYL)PHENYLCARBAMOYL-4-AZA-5-AL PHA-ANDROST-1-EN-3-ONE; USED IN THE TREATMENT OF ANDROGEN RESPONSIVE AND MEDIATED DISEASES GLAXO WELLCOME INC. (US) 1996-10-15 US 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

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-20120157683-A1 PROCESS FOR THE PREPARATION OF DUTASTERIDE CYP21A2, CYP17A1, HSD17B7 SRD5A1 15/4885SRD5A2 4/4885LMNA 2719/4885

“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.