SCHEMBL14083396

SCHEMBL14083396

COc1cccnc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cn2)cc1Cl

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.56
▸ RAB9A P51151 4/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ TP53 P04637 2/20 0.53
▸ CYP1A2 P05177 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C19 P33261 2/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ ALOX15 P16050 1/20 0.53
▸ PTGS1 P23219 2/20 0.49
▸ MAPT P10636 2/20 0.46
▸ SCN9A Q15858 1/20 0.46
▸ DEGS1 O15121 1/20 0.45
▸ MEN1 O00255 5/20 0.45
▸ KMT2A Q03164 5/20 0.45
▸ PTGES O14684 1/20 0.44
▸ HCRTR1 O43613 1/20 0.44
▸ POLB P06746 1/20 0.43

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 0.92 TRPV1 (0.60) TRPV1RAB9ANPC1TP53CYP1A2
SCHEMBL14083109 0.90 TRPV1 (0.57) TRPV1RAB9ANPC1TP53CYP1A2
SCHEMBL14082834 0.90 TRPV1 (0.57) TRPV1RAB9ANPC1TP53CYP1A2
SCHEMBL14083381 0.88 TRPV1 (0.63) TRPV1
SCHEMBL14083271 0.87 TRPV1 (0.72) TRPV1PTGS1SCN9ADEGS1PTGES
SCHEMBL14083389 0.86 RAB9A (0.55) RAB9ANPC1TP53CYP1A2CYP2D6
SCHEMBL14083136 0.85 TRPV1 (0.73) TRPV1PTGS1SCN9ADEGS1MEN1
SCHEMBL14083079 0.85 TRPV1 (0.70) TRPV1PTGS1DEGS1PTGESHCRTR1
SCHEMBL14083406 0.84 MAPT (0.53) TRPV1MAPTMEN1KMT2APOLB
SCHEMBL14083386 0.83 TMPRSS4 (0.52) TRPV1NPC1CYP1A2CYP2D6CYP2C19

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 1/4885RAB9A 1914/4885NPC1 1061/4885

“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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