SCHEMBL3543644

SCHEMBL3543644

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ATM Q13315 1/20 0.46
NAMPT P43490 2/20 0.44
TRPV1 Q8NER1 2/20 0.43
PROKR1 Q8TCW9 2/20 0.43
HCRTR1 O43613 1/20 0.42
HCRTR2 O43614 1/20 0.42
RORC P51449 5/20 0.42
HSD11B1 P28845 1/20 0.42
FASN P49327 2/20 0.41
SCD5 Q86SK9 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPT P10636 1/20 0.40

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
SCHEMBL3555064 0.96 TRPV1 (0.46) TRPV1PROKR1HCRTR1HCRTR2FASN
SCHEMBL3544553 0.91 TRPV1 (0.47) TRPV1PROKR1HCRTR1HCRTR2HSD11B1
SCHEMBL3549499 0.91 HCRTR1 (0.46) NPC1RAB9ATRPV1PROKR1HCRTR1
SCHEMBL3544988 0.91 HCRTR1 (0.46) NPC1RAB9ATRPV1PROKR1HCRTR1
SCHEMBL3546907 0.91 NAMPT (0.45) NAMPTTRPV1PROKR1HCRTR1HCRTR2
SCHEMBL3546175 0.89 NAMPT (0.56) NPC1RAB9AATMNAMPTHCRTR1
SCHEMBL3549119 0.89 FASN (0.46) RAB9ATRPV1PROKR1HCRTR1HCRTR2
SCHEMBL3546658 0.88 RAB9A (0.53) NPC1RAB9AATMNAMPTPROKR1
SCHEMBL3552366 0.88 RAB9A (0.61) NPC1RAB9AATMNAMPTHCRTR1
SCHEMBL3544649 0.86 NAMPT (0.49) NAMPTTRPV1HCRTR1HCRTR2RORC

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 NPC1 1594/4885RAB9A 2914/4885ATM 3533/4885

“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.