SCHEMBL4591016

SCHEMBL4591016

O=C(Nc1ccc(F)c(F)c1)c1ccc(-c2ncccc2F)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 14/20 0.70
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
MEN1 O00255 1/20 0.53
HTT P42858 1/20 0.53
KMT2A Q03164 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
CES1 P23141 1/20 0.52
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51

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
SCHEMBL14083892 0.89 TRPV1 (0.69) TRPV1NPC1RAB9AL3MBTL1KCNQ3
SCHEMBL14083433 0.87 TRPV1 (0.74) TRPV1KMT2A
SCHEMBL5934454 0.87 TRPV1 (0.77) TRPV1
SCHEMBL15779636 0.85 TRPV1 (0.78) TRPV1NPC1RAB9A
SCHEMBL4591187 0.84 TRPV1 (0.80) TRPV1
SCHEMBL14083436 0.83 TRPV1 (0.61) TRPV1NPC1RAB9AMEN1KMT2A
SCHEMBL3873424 0.82 TRPV1 (1.00) TRPV1
SCHEMBL10324366 0.82 TRPV1 (0.74) TRPV1
SCHEMBL14083448 0.82 TRPV1 (0.67) TRPV1MEN1KMT2ACES1
SCHEMBL4590134 0.82 TRPV1 (0.63) TRPV1RAB9ANPSR1

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 2 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
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 (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-20060100245-A1 Substituted biphenyl-4-carboxylic acid arylamide analogues HCAR2, AHR, HCAR3 TRPV1 53/4885NPC1 3100/4885RAB9A 1747/4885

“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.