SCHEMBL6540783

SCHEMBL6540783

OC[C@H](O)c1cccc(C(F)(F)F)c1

nearest known ligand 0.72

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.72
CES2 O00748 1/20 0.53
GRIN2B Q13224 4/20 0.49
ACP3 P15309 2/20 0.49
IDO1 P14902 1/20 0.46
TDO2 P48775 1/20 0.46
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM3 P20309 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
SCHEMBL16412856 1.00 PNMT (0.72) PNMTCES2GRIN2BACP3IDO1
SCHEMBL29256522 1.00 PNMT (0.72) PNMTCES2GRIN2BACP3IDO1
SCHEMBL30988809 0.86 PNMT (0.54) PNMTCES2GRIN2BCHRM2CHRM4
SCHEMBL29256530 0.86 PNMT (0.54) PNMTCES2GRIN2BCHRM2CHRM4
SCHEMBL29256529 0.86 PNMT (0.54) PNMTCES2GRIN2BCHRM2CHRM4
SCHEMBL3198162 0.86 PNMT (0.68) PNMTCES2GRIN2BACP3IDO1
SCHEMBL7109755 0.85 PNMT (0.72) PNMTCES2GRIN2BACP3IDO1
SCHEMBL7152130 0.84 PNMT (1.00) PNMTCES2GRIN2BACP3IDO1
SCHEMBL30753488 0.84 PNMT (1.00) PNMTCES2GRIN2BACP3IDO1
SCHEMBL166671 0.84 PNMT (1.00) PNMTCES2GRIN2BACP3IDO1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118340754-B Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2025-03-11 CN disclosed
CN-118340754-A Compound for treating heart failure and related diseases and application thereof 源道医药(苏州)有限公司 2024-07-16 CN disclosed
US-20040138462-A1 Aminoalcohol derivatives ASTELLAS PHARMA INC. (JP) 2004-07-15 US disclosed
US-4588749-A ANTIOBESITY AND HYPOGLYCEMIC AGENTS BEECHAM GROUP P.L.C. (GB) 1986-05-13 US disclosed
EP-0040000-B1 ARYLETHANOLAMINE DERIVATIVES, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS BEECHAM GROUP PLC (GB) 1983-10-12 EP disclosed
EP-0040000-A1 Arylethanolamine derivatives, their preparation and use in pharmaceutical compositions BEECHAM GROUP PLC (GB) 1981-11-18 EP 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-20040138462-A1 Aminoalcohol derivatives BPHL, FANCD2, HRH2 PNMT 175/4885CES2 3378/4885GRIN2B 3206/4885

“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.