SCHEMBL21944596

SCHEMBL21944596

Oc1cc(F)cc(OCc2ccc(OC(F)(F)F)c(Cl)c2)c1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 5/20 0.48
▸ SCN3A Q9NY46 3/20 0.46
▸ SCN9A Q15858 2/20 0.46
▸ SCN1A P35498 1/20 0.46
▸ SCN2A Q99250 1/20 0.46
▸ SCN10A Q9Y5Y9 1/20 0.46
▸ PTGDR2 Q9Y5Y4 1/20 0.45
▸ S1PR1 P21453 1/20 0.42
▸ PPARA Q07869 2/20 0.38
▸ PPARD Q03181 1/20 0.38
▸ MAOB P27338 1/20 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
SCHEMBL21944590 0.90 KDM4A (0.45) MRGPRX4SCN3ASCN9ASCN1ASCN2A
SCHEMBL18002187 0.83 SCN9A (0.46) MRGPRX4SCN3ASCN9ASCN1ASCN2A
SCHEMBL21945042 0.81 MRGPRX4 (0.47) MRGPRX4PPARAMAOB
SCHEMBL21945535 0.78 HRH3 (0.43) MRGPRX4S1PR1MAOB
SCHEMBL21944924 0.76 MRGPRX4 (0.42) MRGPRX4SCN9A
SCHEMBL18004429 0.76 SCN3A (0.39) MRGPRX4SCN3ASCN9ASCN1ASCN2A
SCHEMBL21944597 0.74 FFAR1 (0.39) MRGPRX4MAOB
SCHEMBL21944603 0.74 MAOB (0.53) MAOB
SCHEMBL21945045 0.74 MAOB (0.54) MRGPRX4MAOB
SCHEMBL18002730 0.73 MAOA (0.44) MRGPRX4SCN3ASCN9ASCN1ASCN2A

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 MRGPRX4 4062/4885SCN3A 1758/4885SCN9A 3205/4885

“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.

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