SCHEMBL917560

SCHEMBL917560

CN1C(=O)C=C[C@@]2(C)C1CC[C@@H]1[C@H]2CC[C@]2(C)C(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@H]12.Cc1ccc(OC2C[C@H]3[C@@H]4C(C)CC5NC(=O)C=C[C@]5(C)[C@@H]4CC[C@]3(C)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ AR P10275 1/20 0.63
▸ SRD5A1 P18405 18/20 0.59
▸ SRD5A2 P31213 6/20 0.49
▸ LMNA P02545 1/20 0.49
▸ ABCB11 O95342 1/20 0.49
▸ GLRA1 P23415 1/20 0.49
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49

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
SCHEMBL7080151 0.79 AR (1.00) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL5241935 0.79 AR (1.00) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL917931 0.79 AR (1.00) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL917557 0.75 SRD5A1 (0.46) SRD5A1SRD5A2
SCHEMBL916376 0.72 SRD5A1 (0.49) SRD5A1SRD5A2
SCHEMBL5215064 0.72 AR (0.84) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL7080869 0.72 AR (0.84) ARSRD5A1SRD5A2LMNAABCB11
SCHEMBL18121305 0.72 SRD5A1 (0.85) SRD5A1SRD5A2LMNAABCB11GLRA1
SCHEMBL10000656 0.72 SRD5A1 (0.85) SRD5A1SRD5A2LMNAABCB11GLRA1
SCHEMBL917112 0.71 AR (0.79) ARSRD5A1SRD5A2

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 6 patents. 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 disclosed
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 disclosed
US-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MEEHAN ALAN 2011-01-20 — — US disclosed
EP-1734963-A4 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO INC (US) 2008-06-18 — — EP disclosed
EP-1734963-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS Merck & Co., Inc. (US) 2006-12-27 — — EP disclosed
WO-2005097127-A2 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS MERCK & CO., INC. (US) 2005-10-20 — — WO 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-20110015164-A1 METHOD OF TREATING MEN WITH METABOLIC AND ANTHROPOMETRIC DISORDERS CYP17A1, SHBG, CYP21A2 AR 12/4885SRD5A1 10/4885SRD5A2 4/4885

“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.

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