SCHEMBL287855

SCHEMBL287855

Cc1ccc(-n2nc(C(F)(F)F)cc2CN)cc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.48
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 2/20 0.42
KLKB1 P03952 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
PTGS2 P35354 8/20 0.40
PTGS1 P23219 5/20 0.40
LMNA P02545 2/20 0.39
PDPK1 O15530 2/20 0.39
CYP2C9 P11712 2/20 0.39
HDAC3 O15379 1/20 0.39
CA12 O43570 1/20 0.39
PDE5A O76074 1/20 0.39
ABCB11 O95342 1/20 0.39
MT-CO2 P00403 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
SCHEMBL658222 0.82 KLKB1 (0.49) TRPV1ALDH1A1KLKB1PTGS2PTGS1
SCHEMBL13172610 0.81 TRPV1 (0.46) TRPV1KLKB1PTGS2PTGS1
SCHEMBL287214 0.81 PTGS2 (0.51) TRPV1KLKB1PTGS2PTGS1
Hydrochloric Acid SCHEMBL12982527 0.81 KLKB1 (0.48) TRPV1ALDH1A1KLKB1PTGS2PTGS1
Hydrochloric Acid SCHEMBL12982348 0.80 TRPV1 (0.45) TRPV1KLKB1PTGS2PTGS1
Hydrochloric Acid SCHEMBL12983419 0.79 PTGS2 (0.50) TRPV1KLKB1PTGS2PTGS1
SCHEMBL287748 0.79 PTGS2 (0.60) TRPV1PTGS2PTGS1PDPK1CYP2C9
SCHEMBL287802 0.79 PTGS2 (0.63) MAPTPTGS2PTGS1LMNACYP2C9
SCHEMBL287490 0.78 TRPV1 (0.51) TRPV1PTGS2PTGS1
SCHEMBL16617943 0.77 KLKB1 (0.50) TRPV1MEN1ALDH1A1KMT2AKLKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427436-B1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS GRUENENTHAL GMBH (DE) 2013-01-09 EP disclosed
US-8334315-B2 Substituted aromatic carboxamide and urea derivatives as vanilloid receptor ligands GRUENENTHAL GMBH (DE) 2012-12-18 US disclosed
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2012-05-10 US disclosed
EP-2427436-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2012-03-14 EP disclosed
US-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2011-01-06 US disclosed
WO-2010127855-A1 SUBSTITUTED AROMATIC CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2010-11-11 WO 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 (3 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-20110003795-A1 Substituted Aromatic Carboxamide and Urea Derivatives as Vanilloid Receptor Ligands TRPV1, UTS2R, CNR2 TRPV1 1/4885MEN1 4682/4885ALDH1A1 2165/4885
US-20120115903-A1 Substituted Heteroaromatic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, OPRM1, OPRK1 TRPV1 1/4885MEN1 4657/4885ALDH1A1 1346/4885
US-20120115893-A1 Substituted Bicyclic Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, CNR1, CNR2 TRPV1 1/4885MEN1 4603/4885ALDH1A1 1422/4885

“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.