SCHEMBL12099367

SCHEMBL12099367

COc1cc(OC)cc(OC2CCN(c3ccc4cccc(C=O)c4n3)CC2)c1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.39
MAP4K4 O95819 1/20 0.39
DCK P27707 1/20 0.37
HTR1A P08908 1/20 0.37
PDE10A Q9Y233 2/20 0.37
FPR2 P25090 1/20 0.36
PROKR1 Q8TCW9 1/20 0.36
HTR3A P46098 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RECQL P46063 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL12100635 0.95 FPR2 (0.42) HRH3MAP4K4DCKPDE10AFPR2
SCHEMBL12099379 0.86 PDE10A (0.43) MAP4K4PDE10A
SCHEMBL12100389 0.85 KDR (0.44) MAP4K4PDE10A
SCHEMBL12099391 0.84 HTR2C (0.46) HRH3
SCHEMBL12099440 0.84 FFAR1 (0.39)
SCHEMBL12099396 0.84 SCN9A (0.38) FPR2PROKR1
SCHEMBL12099689 0.82 FPR2 (0.43) FPR2PROKR1
SCHEMBL12099508 0.73 ACACB (0.45) PDE10A
SCHEMBL12099791 0.70 HRH3 (0.41) HRH3
SCHEMBL2096096 0.69 CCR3 (0.44) FPR2PROKR1

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 HRH3 1010/4885MAP4K4 3222/4885DCK 4328/4885

“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.