SCHEMBL3555064

SCHEMBL3555064

O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2ccc(C(F)(F)F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.46
PROKR1 Q8TCW9 2/20 0.46
HCRTR1 O43613 2/20 0.45
HCRTR2 O43614 2/20 0.45
SCD5 Q86SK9 2/20 0.43
FASN P49327 2/20 0.43
F2R P25116 2/20 0.41
LIPE Q05469 1/20 0.40
KCNH2 Q12809 1/20 0.39

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
SCHEMBL3543644 0.96 NPC1 (0.46) TRPV1PROKR1HCRTR1HCRTR2SCD5
SCHEMBL3544988 0.95 HCRTR1 (0.46) TRPV1PROKR1HCRTR1HCRTR2SCD5
SCHEMBL3549499 0.95 HCRTR1 (0.46) TRPV1PROKR1HCRTR1HCRTR2SCD5
SCHEMBL3544553 0.95 TRPV1 (0.47) TRPV1PROKR1HCRTR1HCRTR2
SCHEMBL3546907 0.95 NAMPT (0.45) TRPV1PROKR1HCRTR1HCRTR2SCD5
SCHEMBL3549119 0.92 FASN (0.46) TRPV1PROKR1HCRTR1HCRTR2FASN
SCHEMBL3544649 0.89 NAMPT (0.49) TRPV1HCRTR1HCRTR2SCD5
SCHEMBL3554777 0.86 HCRTR1 (0.52) PROKR1HCRTR1HCRTR2SCD5
SCHEMBL3548837 0.85 NAMPT (0.48) TRPV1PROKR1HCRTR1HCRTR2KCNH2
SCHEMBL3549075 0.85 TRPV1 (0.46) TRPV1PROKR1HCRTR1HCRTR2SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
US-7666888-B2 Substituted azole aromatic heterocycles as inhibitors of 11β-HSD-1 AMGEN INC. (US) 2010-02-23 US disclosed
EP-2051977-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLbeta-HSD-1 Amgen Inc. (US) 2009-04-29 EP disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
WO-2008011453-A2 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF LLβ-HSD-1 AMGEN INC. (US) 2008-01-24 WO disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 US disclosed
US-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 AMGEN INC. 2008-01-24 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 (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-20080021022-A1 SUBSTITUTED AZOLE AROMATIC HETEROCYCLES AS INHIBITORS OF 11BETA-HSD-1 HSD17B1, HSD11B1, HSD17B11 TRPV1 4535/4885PROKR1 878/4885HCRTR1 314/4885

“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.