SCHEMBL12736731

SCHEMBL12736731

CNC(=O)C12CCC(C#N)(CC1)CC2

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
MCL1 Q07820 1/20 0.31
TNF P01375 1/20 0.31
IRAK4 Q9NWZ3 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
SCHEMBL25783653 0.81 THRB (0.38) THRBMCL1
SCHEMBL4089233 0.75 NPSR1 (0.35)
SCHEMBL4449130 0.73 THRB (0.37) THRB
SCHEMBL12311363 0.73
SCHEMBL7396289 0.73 FFAR3 (0.31)
SCHEMBL12736733 0.71 PKM (0.39) THRB
SCHEMBL7393628 0.71 PKM (0.34)
SCHEMBL21779938 0.70 ADORA2A (0.35) THRBMCL1
SCHEMBL1679811 0.70 HSD11B1 (0.39) THRB
SCHEMBL17132562 0.68 THRB (0.34) THRB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932280-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2011-04-26 US disclosed
US-7932280-B2 Triazole derivatives as inhibitors of 11-beta-hydroxysteroid dehydrogenase-1 MERCK SHARP & DOHME CORP. (US) 2011-04-26 US disclosed
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2009-02-05 US disclosed
US-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 MERCK SHARP & DOHME LLC 2009-02-05 US disclosed
WO-2007087150-A2 TRIAZOLE DERIVATIVES AS INHIBITORS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE-1 MERCK & CO., INC. (US) 2007-08-02 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-20090036503-A1 Triazole Derivatives as Inhibitors of 11-Beta-Hydroxysteroid Dehydrogenase-1 HSD11B1, HSD17B1, HSD3B1 THRB 552/4885MCL1 2559/4885TNF 3869/4885

“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.