SCHEMBL12100495

SCHEMBL12100495

Cc1ccc(C=O)c(N2CCC(Oc3ccc(Cl)cc3)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 2/20 0.44
CHRM4 P08173 5/20 0.43
KCNH2 Q12809 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
FPR2 P25090 4/20 0.41
PROKR1 Q8TCW9 4/20 0.41
HRH1 P35367 1/20 0.41
CCR3 P51677 1/20 0.41
ACACB O00763 3/20 0.40
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39

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
SCHEMBL12099441 0.90 EPHX2 (0.44) FFAR1CHRM4KCNH2HRH3FPR2
SCHEMBL12100125 0.88 FFAR1 (0.48) FFAR1KCNH2HRH3
SCHEMBL12099606 0.86 EPHX2 (0.41) FFAR1KCNH2HRH3ACACB
SCHEMBL12099589 0.86 CHRM4 (0.46) FFAR1CHRM4HRH3HRH1CCR3
SCHEMBL12099467 0.85 FFAR1 (0.42) FFAR1KCNH2HRH3FPR2PROKR1
SCHEMBL12099522 0.85 ACACB (0.44) FFAR1ACACB
SCHEMBL12100012 0.84 FFAR4 (0.39) FFAR1KCNH2HRH3ACACB
SCHEMBL12099739 0.84 EPHX2 (0.45) FFAR1KCNH2FPR2PROKR1HRH1
SCHEMBL12099685 0.81 EPHX2 (0.42) FFAR1CHRM4KCNH2HRH3FPR2
SCHEMBL12099684 0.81 ACACB (0.42) FFAR1KCNH2HRH3FPR2PROKR1

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 FFAR1 793/4885CHRM4 1127/4885KCNH2 42/4885

“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.