SCHEMBL12736752

SCHEMBL12736752

O=C(O)C1(CC(F)(F)F)CCC1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.45
DGAT1 O75907 1/20 0.30

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
SCHEMBL5541231 0.79 CYP2C19 (0.31) CYP2C19
SCHEMBL11919362 0.77 CYP2C19 (0.45) CYP2C19
SCHEMBL14808769 0.76 CYP2C19 (0.34) CYP2C19
SCHEMBL14842994 0.74 CYP2C19 (0.38) CYP2C19
SCHEMBL6245284 0.73
SCHEMBL12914953 0.73 CYP2C19 (0.50) CYP2C19
SCHEMBL20722069 0.72 CYP2C19 (0.41) CYP2C19DGAT1
SCHEMBL24155074 0.71 CYP2C19 (0.36) CYP2C19
SCHEMBL13898741 0.70
SCHEMBL1055977 0.69

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 CYP2C19 115/4885DGAT1 89/4885

“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.