SCHEMBL12099441

SCHEMBL12099441

O=Cc1ccc(Cl)cc1N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.44
ACACB O00763 3/20 0.43
FFAR1 O14842 3/20 0.43
KCNH2 Q12809 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
CHRM4 P08173 1/20 0.41
FPR2 P25090 4/20 0.39
PROKR1 Q8TCW9 4/20 0.39
SLC6A4 P31645 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL12100125 0.90 FFAR1 (0.48) FFAR1KCNH2HRH3
SCHEMBL12099589 0.90 CHRM4 (0.46) EPHX2ACACBFFAR1HRH3CHRM4
SCHEMBL12099606 0.90 EPHX2 (0.41) EPHX2ACACBFFAR1KCNH2HRH3
SCHEMBL12100495 0.90 FFAR1 (0.44) ACACBFFAR1KCNH2HRH3CHRM4
SCHEMBL12100012 0.88 FFAR4 (0.39) EPHX2ACACBFFAR1KCNH2HRH3
SCHEMBL12099739 0.88 EPHX2 (0.45) EPHX2ACACBFFAR1KCNH2FPR2
SCHEMBL12099522 0.87 ACACB (0.44) ACACBFFAR1
SCHEMBL12099437 0.82 CHRM4 (0.49) ACACBFFAR1HRH3CHRM4
SCHEMBL12099623 0.81 MAPK14 (0.42) EPHX2ACACBFFAR1CHRM4FPR2
SCHEMBL12100646 0.81 EPHX2 (0.40) EPHX2ACACBFFAR1KCNH2HRH3

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 EPHX2 2869/4885ACACB 3122/4885FFAR1 793/4885

“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.