SCHEMBL14658671

SCHEMBL14658671

O=C(NCc1cc(C(F)(F)F)nn1CC1CC1)Nc1ccc(NCCO)nc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 6/20 0.42
▸ CRHR1 P34998 1/20 0.39
▸ ABL1 P00519 1/20 0.38
▸ NAMPT P43490 1/20 0.38
▸ EPHX2 P34913 1/20 0.37
▸ FPR2 P25090 4/20 0.36
▸ USP30 Q70CQ3 1/20 0.36
▸ TGFBR1 P36897 1/20 0.36
▸ GCK P35557 1/20 0.36
▸ TLR7 Q9NYK1 1/20 0.35
▸ CRACR2A Q9BSW2 1/20 0.35
▸ NR3C1 P04150 1/20 0.35
▸ FPR3 P25089 1/20 0.35

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
SCHEMBL14659993 0.83 TRPV1 (0.44) TRPV1ABL1NAMPTEPHX2FPR2
SCHEMBL14660137 0.83 TRPV1 (0.41) TRPV1
SCHEMBL14659899 0.82 TGFBR1 (0.41) TRPV1ABL1NAMPTTGFBR1NR3C1
SCHEMBL14659242 0.81 KCNJ6 (0.40) TRPV1FPR2TLR7
SCHEMBL14659950 0.80 TRPV1 (0.49) TRPV1
SCHEMBL14659131 0.78 TRPV1 (0.55) TRPV1
SCHEMBL14659312 0.78 TRPV1 (0.63) TRPV1
SCHEMBL14659631 0.78 TRPV1 (0.57) TRPV1
SCHEMBL14658561 0.77 TRPV1 (0.56) TRPV1
SCHEMBL28812278 0.76 TRPV1 (0.44) TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2736900-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-06-04 — — EP claimed
CN-103842357-A Substituted heteroaromatic pyrazole-containing carboxamide and urea compounds as vanilloid receptor ligands GRUENENTHAL GMBH 2014-06-04 — — CN claimed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 — — WO claimed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 — — US claimed
EP-2736900-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2014-06-04 — — EP disclosed
CN-103842357-A Substituted heteroaromatic pyrazole-containing carboxamide and urea compounds as vanilloid receptor ligands GRUENENTHAL GMBH 2014-06-04 — — CN disclosed
WO-2013013815-A1 SUBSTITUTED HETEROAROMATIC PYRAZOLE-CONTAINING CARBOXAMIDE AND UREA DERIVATIVES AS VANILLOID RECEPTOR LIGANDS Grünenthal GmbH (DE) 2013-01-31 — — WO disclosed
US-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands GRUENENTHAL GMBH (DE) 2013-01-31 — — 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-20130029962-A1 Substituted Heteroaromatic Pyrazole-Containing Carboxamide and Urea Compounds as Vanilloid Receptor Ligands TRPV1, GPR17, TRPV3 TRPV1 1/4885CRHR1 254/4885ABL1 1784/4885

“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.

Send feedback