SCHEMBL2294804

SCHEMBL2294804

CC(C)(C)CC(C)(C)NC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4NC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.81

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 15/20 0.81
SRD5A2 P31213 9/20 0.81
LMNA P02545 2/20 0.81
CYP3A4 P08684 2/20 0.81
CYP2C9 P11712 2/20 0.81
CYP2C19 P33261 2/20 0.81
ABCC4 O15439 1/20 0.81
ABCB11 O95342 1/20 0.81
ADORA3 P0DMS8 1/20 0.81
CHRM1 P11229 1/20 0.81
HSD3B1 P14060 1/20 0.81
NFKB1 P19838 1/20 0.81
MAPK1 P28482 1/20 0.81
THPO P40225 1/20 0.81
BLM P54132 1/20 0.81

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
SCHEMBL2294809 1.00 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8792952 0.93 SRD5A1 (0.78) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8792956 0.93 SRD5A1 (0.78) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2297747 0.92 SRD5A1 (0.82) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8749711 0.92 SRD5A1 (0.82) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9621582 0.92 SRD5A1 (0.82) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL9134496 0.92 SRD5A1 (0.82) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8793136 0.91 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL8793134 0.91 SRD5A1 (0.81) SRD5A1SRD5A2LMNACYP3A4CYP2C9
SCHEMBL2293256 0.90 SRD5A1 (0.80) 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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7998970-B2 Use of finasteride, dutasteride and related compounds for the prevention or treatment of neurologically-associated disorders PROTEOSYS AG (DE) 2011-08-16 US claimed
US-20090170889-A1 USE OF FINASTERIDE, DUTASTERIDE AND RELATED COMPOUNDS FOR THE PREVENTION OR TREATMENT OF NEUROLOGICALLY-ASSOCIATED DISORDERS PROTEOSYS AG (DE) 2009-07-02 US claimed
EP-1824495-A2 FINASTERIDE, DUTASTERIDE AND RELATED COMPOUNDS FOR PREVENTING/TREATING NEUROLOGICALLY-ASSOCIATED DISORDERS ProteoSys AG (DE) 2007-08-29 EP claimed
WO-2006058781-A2 FINASTERIDE, DUTASTERIDE AND RELATED COMPOUNDS FOR PREVENTING/TREATING NEUROLOGICALLY-ASSOCIATED DISORDERS PROTEOSYS AG (DE) 2006-06-08 WO claimed
US-20010049376-A1 Method of prevention of prostatic carcinoma with 17beta-N-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO., INC. 2001-12-06 US claimed
US-6268376-B1 Method of prevention of prostatic carcinoma with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. 2001-07-31 US claimed
EP-0859617-A1 METHOD OF PREVENTING ANDROGENETIC ALOPECIA WITH 5-ALPHA REDUCTASE INHIBITORS Merck & Co., Inc. (US) 1998-08-26 EP claimed
EP-0674521-A4 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17-g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5-g(a)-ANDROST-1-EN-3-ONES. MERCK & CO INC (US) 1998-02-04 EP claimed
US-5629318-A Method of treatment of chronic prostatitis with 17β-N-monosubstituted-carbamoyl-4-aza-5α-androst-1-en-3-ones MERCK & CO., INC. (US) 1997-05-13 US claimed
WO-1997011702-A1 METHOD OF PREVENTING ANDROGENETIC ALOPECIA WITH 5-ALPHA REDUCTASE INHIBITORS MERCK & CO., INC. (US) 1997-04-03 WO claimed
EP-0547691-B1 The use of 17B-N-mono-substituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO INC (US) 1997-03-19 EP claimed
EP-0674521-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17$g(b)-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5$g(a)-ANDROST-1-EN-3-ONES MERCK & CO. INC. (US) 1995-10-04 EP claimed
WO-1994014452-A1 METHOD OF TREATMENT OF CHRONIC PROSTATITIS WITH 17β-N-MONOSUBSTITUTED-CARBAMOYL-4-AZA-5α-ANDROST-1-EN-3-ONES MERCK & CO., INC. (US) 1994-07-07 WO claimed
EP-0285382-B1 Treatment of androgenic alopecia with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO INC (US) 1994-04-13 EP claimed
EP-0285383-B1 Treatment of prostatic carcinoma with 17beta-n-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones MERCK & CO INC (US) 1994-03-16 EP claimed
EP-0547691-A1 The use of 17B-N-mono-substituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO. INC. (US) 1993-06-23 EP claimed
US-7998970-B2 Use of finasteride, dutasteride and related compounds for the prevention or treatment of neurologically-associated disorders PROTEOSYS AG (DE) 2011-08-16 US disclosed
US-20090170889-A1 USE OF FINASTERIDE, DUTASTERIDE AND RELATED COMPOUNDS FOR THE PREVENTION OR TREATMENT OF NEUROLOGICALLY-ASSOCIATED DISORDERS PROTEOSYS AG (DE) 2009-07-02 US disclosed
EP-0572166-A1 New 7beta-substituted-4-aza-5a-androstan-3-ones as 5a-reductase inhibitors MERCK & CO. INC. (US) 1993-12-01 EP disclosed
EP-0547691-A1 The use of 17B-N-mono-substituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones for the preparation of a medicament for the prevention of prostatic carcinoma MERCK & CO. INC. (US) 1993-06-23 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-20010049376-A1 Method of prevention of prostatic carcinoma with 17beta-N-monosubstituted-carbamoyl-4-aza-5alpha-androst-1-en-3-ones NR5A1, CYP17A1, HSD17B7 SRD5A1 8/4885SRD5A2 11/4885LMNA 3244/4885
US-20090170889-A1 USE OF FINASTERIDE, DUTASTERIDE AND RELATED COMPOUNDS FOR THE PREVENTION OR TREATMENT OF NEUROLOGICALLY-ASSOCIATED DISORDERS SLC25A4, CHRNA10, SLC25A20 SRD5A1 511/4885SRD5A2 708/4885LMNA 2435/4885

“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.