SCHEMBL21944599

SCHEMBL21944599

Oc1cccc(OCc2ccc(C(F)(F)F)c(C(F)(F)F)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.56
MRGPRX4 Q96LA9 2/20 0.46
MAOB P27338 3/20 0.46
NR4A2 P43354 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPRB P23467 1/20 0.46
PTPN6 P29350 1/20 0.46
PTPN11 Q06124 1/20 0.46
F2 P00734 6/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.44
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL21944901 0.87 IDO1 (0.56) APPMRGPRX4MAOBNR4A2
SCHEMBL4697694 0.85 MRGPRX4 (0.53) APPMRGPRX4MAOB
SCHEMBL21944597 0.81 FFAR1 (0.39) MRGPRX4MAOB
SCHEMBL18002684 0.80 MAOA (0.64) MRGPRX4MAOBMAPTPOLB
SCHEMBL4700356 0.80 NR4A2 (0.68) APPMRGPRX4MAOBNR4A2MAPT
SCHEMBL15613736 0.77 MAOB (0.58) APPMAOBF2
SCHEMBL27735405 0.77 APP (0.77) APPMAOBF2MAPTL3MBTL1
SCHEMBL22964303 0.76 APP (0.70) APPMAOBNR4A2MAPTL3MBTL1
SCHEMBL14619058 0.75 MAOB (0.51) APPMRGPRX4MAOBNR4A2MAPT
SCHEMBL4719177 0.75 APP (0.50) APPMAPTHTT

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
EP-4219477-A1 CYANOTRIAZOLE COMPOUNDS Otsuka Pharmaceutical Co., Ltd. (JP) 2023-08-02 EP disclosed
US-10626095-B2 Cyanotriazole compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2020-04-21 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-10626095-B2 Cyanotriazole compounds CS, PC, ACAT1 APP 2183/4885MRGPRX4 4062/4885MAOB 3664/4885

“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.