SCHEMBL12100034

SCHEMBL12100034

CCOc1ccc(C=O)c(N2CCC(Oc3ccc(Cl)cc3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.48
CHRM4 P08173 3/20 0.41
ACACB O00763 5/20 0.41
GPR6 P46095 2/20 0.39
KCNH2 Q12809 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
FFAR1 O14842 1/20 0.39
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
PDE10A Q9Y233 1/20 0.39
FPR2 P25090 4/20 0.37
PROKR1 Q8TCW9 4/20 0.37

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
SCHEMBL12099455 0.85 KCNH2 (0.45) MAPK14CHRM4ACACBGPR6KCNH2
SCHEMBL12100080 0.83 ACACB (0.45) MAPK14CHRM4ACACBFFAR1FPR2
SCHEMBL12099754 0.83 P2RX3 (0.40) MAPK14CHRM4ACACBGPR6KCNH2
SCHEMBL12099601 0.77 MAPK14 (0.48) MAPK14CHRM4ACACBGPR6KCNH2
SCHEMBL12099593 0.77 ALDH1A1 (0.45) MAPK14CHRM4GPR6KCNH2HRH3
SCHEMBL12100128 0.76 MAPK14 (0.43) MAPK14CHRM4ACACBKCNH2HRH3
SCHEMBL12099405 0.75 MAPK14 (0.48) MAPK14CHRM4GPR6KCNH2HRH3
SCHEMBL12100236 0.74 ACACB (0.41) ACACBKCNH2HRH3PDE3BPDE3A
SCHEMBL12100285 0.73 MAPK14 (0.44) MAPK14CHRM4ACACBGPR6KCNH2
SCHEMBL12099552 0.73 ACACB (0.49) MAPK14ACACBFFAR1FPR2PROKR1

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 MAPK14 4019/4885CHRM4 1127/4885ACACB 3122/4885

“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.