SCHEMBL915556

SCHEMBL915556

CC1CC2N(C)C(=O)C=C[C@]2(C)[C@@H]2CC[C@]3(C)CC(Oc4ccc(Cl)cc4)C[C@H]3[C@H]12

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
AR P10275 7/20 0.41
KCNH2 Q12809 6/20 0.41
MMP12 P39900 1/20 0.32
MMP13 P45452 1/20 0.32
FPR2 P25090 1/20 0.31
PROKR1 Q8TCW9 1/20 0.31

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
SCHEMBL917053 0.81 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL8009032 0.81 MMP12 (0.31) MMP12MMP13
SCHEMBL7994164 0.81 SLC6A4 (0.30)
SCHEMBL8005939 0.81 MMP12 (0.31) MMP12MMP13
SCHEMBL916826 0.81 SRD5A1 (0.45) SRD5A1SRD5A2
SCHEMBL7994162 0.81 SLC6A4 (0.30)
SCHEMBL8676804 0.77 FPR2 (0.33) SRD5A1SRD5A2MMP12MMP13FPR2
SCHEMBL8009374 0.75 SLC6A4 (0.31)
SCHEMBL917798 0.73 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL917805 0.73 SRD5A1 (0.46) 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 48 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2371367-A1 Method of treating men with testosterone supplement and 5alpha reductase inhibitor MERCK SHARP & DOHME (I.A.) CORP. (US) 2011-10-05 EP claimed
US-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK SHARP & DOHME CORP. (US) 2011-06-09 US claimed
US-20110092470-A1 METHOD OF TREATING MEN WITH ERECTILE DYSFUNCTION MEEHAN ALAN 2011-04-21 US claimed
EP-2305352-A1 5-alpha-reductase inhibitors for use in the treatment of men with metabolic and anthropometric disorders Merck Sharp & Dohme Corp. (US) 2011-04-06 EP claimed
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MEEHAN ALAN 2011-01-20 US claimed
US-20090123571-A1 Method of treating men with testosterone supplement and 5alpha-reductase inhibitor MERCK SHARP & DOHME CORP. 2009-05-14 US claimed
EP-1865955-A4 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK & CO INC (US) 2009-04-15 EP claimed
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders MERCK & CO., INC. (US) 2008-05-29 US claimed
EP-1865955-A2 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR Merck & Co., Inc. (US) 2007-12-19 EP claimed
WO-2006104762-A2 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR MERCK & CO., INC. (US) 2006-10-05 WO claimed
US-6352997-B1 OXOAZASTEROIDS FOR TREATMENT OF FERTILITY PROBLEMS AND UROGENITAL DISORDERS MERCK & CO., INC. 2002-03-05 US claimed
US-6204273-B1 TREATMENT OF ANDROGENIC SENSITIVE DISORDERS SUCH AS ACNE VULGARIS, SEBORRHEA, FEMALE HIRSUTISM, MALE PATTERN BALDNESS, AND BENIGN PROSTATIC HYPERPLASIA. MERCK & CO., INC. 2001-03-20 US claimed
EP-1009740-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME Merck & Co., Inc. (US) 2000-06-21 EP claimed
US-5945412-A ADMINISTERING ANDROSTENE DERIVATIVE 5-ALPHA REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1999-08-31 US claimed
US-5935968-A ADMINISTERING ANDROSTENE DERIVATIVE 5-ALPHA REDUCTASE INHIBITOR MERCK & CO., INC. (US) 1999-08-10 US claimed
EP-0724592-B1 16-SUBSTITUTED-4-AZA-ANDROSTANE 5-ALPHA-REDUCTASE ISOZYME 1 INHIBITORS MERCK & CO INC (US) 1999-01-07 EP claimed
EP-0792371-A4 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO INC (US) 1998-12-30 EP claimed
WO-1998041509-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 WO claimed
EP-0792371-A1 COMBINATION METHOD FOR ACNE TREATMENT Merck & Co., Inc. (US) 1997-09-03 EP claimed
WO-1996012817-A1 COMBINATION METHOD FOR ACNE TREATMENT MERCK & CO., INC. (US) 1996-05-02 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20090123571-A1 Method of treating men with testosterone supplement and 5alpha-reductase inhibitor ADRA1D, ADRB1, AGER SRD5A1 17/4885SRD5A2 26/4885AR 22/4885
US-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR ADRA1D, ADRB1, AGER SRD5A1 17/4885SRD5A2 26/4885AR 22/4885
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS CYP17A1, SHBG, CYP21A2 SRD5A1 10/4885SRD5A2 4/4885AR 12/4885
US-20110092470-A1 METHOD OF TREATING MEN WITH ERECTILE DYSFUNCTION ADRA1D, ADRB1, AGER SRD5A1 37/4885SRD5A2 53/4885AR 34/4885
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders CYP17A1, SHBG, CYP21A2 SRD5A1 10/4885SRD5A2 4/4885AR 12/4885

“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.