SCHEMBL3549075

SCHEMBL3549075

O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2ccccc2Cl)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.46
ALDH1A1 P00352 1/20 0.45
HCRTR1 O43613 3/20 0.45
HCRTR2 O43614 2/20 0.45
RAB9A P51151 2/20 0.42
NPC1 O15118 1/20 0.42
RBP4 P02753 1/20 0.41
PROKR1 Q8TCW9 1/20 0.40
HSD11B1 P28845 1/20 0.40
SCD5 Q86SK9 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
SCHEMBL3555631 0.88 HCRTR1 (0.51) ALDH1A1HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3555064 0.85 TRPV1 (0.46) TRPV1HCRTR1HCRTR2PROKR1SCD5
SCHEMBL3544553 0.85 TRPV1 (0.47) TRPV1HCRTR1HCRTR2PROKR1HSD11B1
SCHEMBL3545291 0.83 SCD5 (0.50) ALDH1A1HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3546587 0.83 SCD5 (0.52) TRPV1RAB9ANPC1PROKR1HSD11B1
SCHEMBL3550889 0.83 TRPV1 (0.44) TRPV1HCRTR1HCRTR2RAB9A
SCHEMBL3546907 0.83 NAMPT (0.45) TRPV1HCRTR1HCRTR2RBP4PROKR1
SCHEMBL3543644 0.82 NPC1 (0.46) TRPV1HCRTR1HCRTR2RAB9ANPC1
SCHEMBL3544649 0.81 NAMPT (0.49) TRPV1HCRTR1HCRTR2RBP4HSD11B1
SCHEMBL3544988 0.81 HCRTR1 (0.46) TRPV1HCRTR1HCRTR2RAB9ANPC1

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 4535/4885ALDH1A1 86/4885HCRTR1 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.