SCHEMBL12099396

SCHEMBL12099396

O=Cc1cccc2ccc(N3CCC(Oc4ccc(Cl)cc4)CC3)nc12

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 1/20 0.38
ACACB O00763 3/20 0.37
FPR2 P25090 4/20 0.36
PROKR1 Q8TCW9 4/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL12099440 0.89 FFAR1 (0.39) ACACB
SCHEMBL12099508 0.89 ACACB (0.45) SCN9AACACB
SCHEMBL12099367 0.84 HRH3 (0.39) FPR2PROKR1
SCHEMBL12099791 0.84 HRH3 (0.41) SCN9AEPHX2
SCHEMBL12099689 0.83 FPR2 (0.43) FPR2PROKR1
SCHEMBL12100635 0.83 FPR2 (0.42) FPR2PROKR1EPHX2
SCHEMBL12099391 0.83 HTR2C (0.46) SCN9A
SCHEMBL12100211 0.82 KDM4E (0.41) SCN9AACACBFPR2PROKR1
SCHEMBL12099379 0.81 PDE10A (0.43) ACACB
SCHEMBL12099307 0.80 HRH3 (0.35)

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
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B SCN9A 20/4885ACACB 3122/4885FPR2 419/4885

“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.