SCHEMBL14083109

SCHEMBL14083109

COc1cccnc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cn2)cc1F

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.57
▸ PTGS1 P23219 3/20 0.50
▸ HCRTR1 O43613 3/20 0.47
▸ HCRTR2 O43614 1/20 0.47
▸ MEN1 O00255 4/20 0.46
▸ KMT2A Q03164 4/20 0.46
▸ POLB P06746 1/20 0.46
▸ DEGS1 O15121 1/20 0.46
▸ PTGES O14684 1/20 0.45
▸ SCN9A Q15858 1/20 0.45
▸ NPC1 O15118 1/20 0.44
▸ TP53 P04637 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL14083311 0.93 TRPV1 (0.60) TRPV1PTGS1HCRTR1MEN1KMT2A
SCHEMBL14083396 0.90 TRPV1 (0.56) TRPV1PTGS1HCRTR1MEN1KMT2A
SCHEMBL14083100 0.87 TRPV1 (0.64) TRPV1
SCHEMBL14083107 0.87 MEN1 (0.52) MEN1KMT2APOLBNPC1TP53
SCHEMBL14084119 0.86 TRPV1 (0.74) TRPV1PTGS1DEGS1PTGESSCN9A
SCHEMBL14083136 0.86 TRPV1 (0.73) TRPV1PTGS1HCRTR1MEN1KMT2A
SCHEMBL14083079 0.86 TRPV1 (0.70) TRPV1PTGS1HCRTR1DEGS1PTGES
SCHEMBL14083683 0.85 TRPV1 (0.60) TRPV1PTGS1HCRTR1DEGS1PTGES
SCHEMBL14082834 0.85 TRPV1 (0.57) TRPV1PTGS1MEN1KMT2APOLB
SCHEMBL14083115 0.84 MAPT (0.54) TRPV1MEN1KMT2APOLBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-20080200524-A1 Amide compounds as ion channel ligands and uses thereof KELLY MICHAEL G 2008-08-21 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — US disclosed
US-7338950-B2 Amide compounds as ion channel ligands and uses thereof RENOVIS, INC. (US) 2008-03-04 — — 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-20080200524-A1 Amide compounds as ion channel ligands and uses thereof TRPV1, TRPA1, TRPV2 TRPV1 1/4885PTGS1 215/4885HCRTR1 1043/4885

“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.

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