SCHEMBL3550889

SCHEMBL3550889

O=C(c1cnoc1-c1ccc(C(F)(F)F)cc1)N1CCC(Cc2ccccc2Cl)C1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.44
HCRTR1 O43613 2/20 0.43
HCRTR2 O43614 2/20 0.43
S100A4 P26447 1/20 0.41
KMT2A Q03164 1/20 0.40
MGLL Q99685 2/20 0.40
CYP2C9 P11712 2/20 0.39
CYP2C19 P33261 2/20 0.39
HTR2B P41595 2/20 0.39
MAPK14 Q16539 2/20 0.39
LIPE Q05469 1/20 0.38
RAB9A P51151 1/20 0.37
HDAC4 P56524 1/20 0.37
KLRK1 P26718 1/20 0.37
MICA Q29983 1/20 0.37
CCR2 P41597 1/20 0.37
SPR P35270 1/20 0.36
MTTP P55157 1/20 0.36

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
SCHEMBL3551506 0.88 HCRTR1 (0.49) HCRTR1HCRTR2CYP2C9CYP2C19HTR2B
SCHEMBL3552516 0.87 CYP2C9 (0.51) TRPV1HCRTR1HCRTR2MGLLCYP2C9
SCHEMBL3550583 0.84 CYP2C9 (0.43) HCRTR1HCRTR2KMT2ACYP2C9CYP2C19
SCHEMBL3546933 0.84 CYP2C9 (0.45) KMT2AMGLLCYP2C9CYP2C19HTR2B
SCHEMBL3549075 0.83 TRPV1 (0.46) TRPV1HCRTR1HCRTR2RAB9A
SCHEMBL3548035 0.82 SLC2A1 (0.44) TRPV1HCRTR1HCRTR2MGLLCYP2C9
SCHEMBL3550044 0.82 CYP2C9 (0.58) TRPV1MGLLCYP2C9CYP2C19HTR2B
SCHEMBL13501696 0.79 SPR (0.52) HCRTR1HCRTR2KMT2AMGLLCYP2C9
SCHEMBL13501910 0.78 HCRTR1 (0.46) HCRTR1HCRTR2KMT2AMGLLCYP2C9
SCHEMBL3555064 0.77 TRPV1 (0.46) TRPV1HCRTR1HCRTR2LIPE

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 4535/4885HCRTR1 314/4885HCRTR2 531/4885

“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.