SCHEMBL3548837

SCHEMBL3548837

O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(c2cnccn2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.48
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
EPHX2 P34913 2/20 0.42
CYP2C9 P11712 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
KCNH2 Q12809 3/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
RBP4 P02753 1/20 0.39
CACNA1C Q13936 1/20 0.38
MAPT P10636 1/20 0.38
PROKR1 Q8TCW9 2/20 0.37
CCR2 P41597 1/20 0.37
ALOX5AP P20292 1/20 0.37
FEN1 P39748 1/20 0.37

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
SCHEMBL3546278 0.88 NAMPT (0.48) NAMPTTP53EPHX2CYP2C9HCRTR1
SCHEMBL3546907 0.87 NAMPT (0.45) NAMPTEPHX2CYP2C9TRPV1HCRTR1
SCHEMBL3555064 0.85 TRPV1 (0.46) TRPV1HCRTR1HCRTR2KCNH2PROKR1
SCHEMBL3544649 0.85 NAMPT (0.49) NAMPTTRPV1HCRTR1HCRTR2CYP3A4
SCHEMBL3543644 0.82 NPC1 (0.46) NAMPTTRPV1HCRTR1HCRTR2MAPT
SCHEMBL3549499 0.81 HCRTR1 (0.46) TP53TRPV1HCRTR1HCRTR2KDM4E
SCHEMBL3544553 0.81 TRPV1 (0.47) TP53TRPV1HCRTR1HCRTR2PROKR1
SCHEMBL3544988 0.81 HCRTR1 (0.46) TP53TRPV1HCRTR1HCRTR2KDM4E
SCHEMBL3549075 0.80 TRPV1 (0.46) TRPV1HCRTR1HCRTR2RBP4PROKR1
SCHEMBL3549119 0.79 FASN (0.46) TRPV1HCRTR1HCRTR2RBP4MAPT

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 NAMPT 1170/4885TP53 4444/4885MDM2 3955/4885

“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.