SCHEMBL4591053

SCHEMBL4591053

O=C(Nc1ccc(C(F)(F)F)cn1)c1ccc(-c2ncccc2Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 12/20 0.78
▸ PTGS1 P23219 2/20 0.59
▸ DEGS1 O15121 2/20 0.54
▸ RPS6KA3 P51812 1/20 0.51
▸ HIF1A Q16665 1/20 0.50
▸ EPAS1 Q99814 1/20 0.50

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
SCHEMBL14083959 0.90 TRPV1 (0.63) TRPV1PTGS1DEGS1RPS6KA3
SCHEMBL14083442 0.87 TRPV1 (0.79) TRPV1PTGS1DEGS1HIF1AEPAS1
SCHEMBL4464126 0.87 TRPV1 (1.00) TRPV1PTGS1DEGS1
SCHEMBL14083616 0.85 TRPV1 (0.60) TRPV1PTGS1RPS6KA3
SCHEMBL14083683 0.85 TRPV1 (0.60) TRPV1PTGS1DEGS1RPS6KA3HIF1A
SCHEMBL4814175 0.85 TRPV1 (1.00) TRPV1
SCHEMBL14083556 0.84 TRPV1 (0.71) TRPV1
SCHEMBL14083363 0.84 TRPV1 (0.61) TRPV1PTGS1RPS6KA3
SCHEMBL14083552 0.84 TRPV1 (0.57) TRPV1DEGS1
SCHEMBL14083136 0.84 TRPV1 (0.73) TRPV1PTGS1DEGS1

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-1664041-B1 PHENYL-CARBOXAMIDE COMPOUNDS USEFUL FOR TREATING PAIN EURO CELTIQUE SA (LU) 2008-07-02 — — EP claimed
EP-1575918-A2 SUBSTITUTED BIARYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2005-09-21 — — EP claimed
WO-2004056774-A2 SUBSTITUTED BIPHENYL-4-CARBOXYLIC ACID ARYLAMIDE ANALOGUES AS CAPSAICIN RECEPTOR MODULATORS NEUROGEN CORPORATION (US) 2004-07-08 — — WO claimed
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
US-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues NEUROGEN CORPORATION (US) 2006-05-11 — — 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 (2 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 215/4885DEGS1 1167/4885
US-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues HCAR2, AHR, HCAR3 TRPV1 53/4885PTGS1 1926/4885DEGS1 3901/4885

“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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