SCHEMBL917853

SCHEMBL917853

CC1CC2N(C)C(=O)CC[C@]2(C)[C@@H]2CC[C@]3(C)CC(OCc4ccccc4)C[C@H]3[C@H]12

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 13/20 0.47
SRD5A2 P31213 10/20 0.47
ATP1A1 P05023 1/20 0.35
ATP1B1 P05026 1/20 0.35
ATP1A3 P13637 1/20 0.35
ATP1B2 P14415 1/20 0.35
ATP1A2 P50993 1/20 0.35
ATP1B3 P54709 1/20 0.35
FXYD2 P54710 1/20 0.35
ATP1A4 Q13733 1/20 0.35
CYP19A1 P11511 2/20 0.35

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
SCHEMBL916849 0.86 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL917087 0.86 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL917802 0.84 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL917432 0.84 SRD5A1 (0.50) SRD5A1SRD5A2
SCHEMBL7909922 0.83 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL917162 0.83 SRD5A1 (0.52) SRD5A1SRD5A2
SCHEMBL917922 0.83 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL915714 0.82 SRD5A1 (0.59) SRD5A1SRD5A2
SCHEMBL917822 0.81 SRD5A1 (0.44) SRD5A1SRD5A2
SCHEMBL916418 0.81 SRD5A1 (0.47) 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 43 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
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
WO-1998041509-A1 METHODS AND COMPOSITIONS FOR TREATING POLYCYSTIC OVARY SYNDROME MERCK & CO., INC. (US) 1998-09-24 WO claimed
WO-1998025463-A1 METHODS AND COMPOSITIONS FOR PREVENTING AND TREATING BONE LOSS MERCK & CO., INC. (US) 1998-06-18 WO claimed
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 disclosed
US-5719158-A 16-substituted-4-aza-androstane 5-alpha-reductase isozyme 1 inhibitors MERCK & CO., INC. (US) 1998-02-17 US disclosed
US-5543417-A 5 Alpha-reductase inhibitor and at least one of an antibacterial agent, a keratolytic agent or an anti-inflammatory agent MERCK & CO., INC. (US) 1996-08-06 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 (4 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-20110136769-A1 METHOD OF TREATING MEN WITH TESTOSTERONE SUPPLEMENT AND 5ALPHA-REDUCTASE INHIBITOR ADRA1D, ADRB1, AGER SRD5A1 17/4885SRD5A2 26/4885ATP1A1 3688/4885
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS CYP17A1, SHBG, CYP21A2 SRD5A1 10/4885SRD5A2 4/4885ATP1A1 1240/4885
US-20110092470-A1 METHOD OF TREATING MEN WITH ERECTILE DYSFUNCTION ADRA1D, ADRB1, AGER SRD5A1 37/4885SRD5A2 53/4885ATP1A1 3130/4885
US-20080125403-A1 Method of Treating Men with Metabolic and Anthropometric Disorders CYP17A1, SHBG, CYP21A2 SRD5A1 10/4885SRD5A2 4/4885ATP1A1 1240/4885

“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.