SCHEMBL12099552

SCHEMBL12099552

CCOc1nccc(N2CCC(Oc3ccc(Cl)cc3)CC2)c1C=O

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.49
MAPK14 Q16539 1/20 0.46
FPR2 P25090 4/20 0.39
PROKR1 Q8TCW9 4/20 0.39
FFAR1 O14842 2/20 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
SCHEMBL12099555 0.86 FPR2 (0.47) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12099786 0.78 CHRM4 (0.42) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12100080 0.77 ACACB (0.45) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12099573 0.76 FPR2 (0.47) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12099792 0.73 FPR2 (0.39) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12100101 0.73 CHRM4 (0.43) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12099651 0.73 FPR2 (0.42) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12100034 0.73 MAPK14 (0.48) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12099623 0.72 MAPK14 (0.42) ACACBMAPK14FPR2PROKR1FFAR1
SCHEMBL12100367 0.72 FPR2 (0.44) ACACBMAPK14FPR2PROKR1FFAR1

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 ACACB 3122/4885MAPK14 4019/4885FPR2 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.