SCHEMBL5752006

SCHEMBL5752006

NC(Cc1ccc(C(F)(F)F)o1)C(O)c1ccc(F)cc1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 2/20 0.33
GRM8 O00222 1/20 0.33
GRM4 Q14833 1/20 0.33
AOC3 Q16853 1/20 0.32

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
SCHEMBL5751323 0.80 GRM8 (0.36) SLC6A4GRM8GRM4
SCHEMBL5754664 0.77 CNR2 (0.33) SLC6A4GRM8GRM4
SCHEMBL5750053 0.72 TRPA1 (0.39)
SCHEMBL5751727 0.72 TRPA1 (0.39)
SCHEMBL6578585 0.72 TRPA1 (0.39)
SCHEMBL5749249 0.72 TRPA1 (0.47) AOC3
Hydrochloric Acid SCHEMBL5751082 0.71 TACR1 (0.39)
SCHEMBL5752236 0.70 IDO1 (0.41) SLC6A4
SCHEMBL5753238 0.70 GAA (0.41) SLC6A4
SCHEMBL5753923 0.69 DPP4 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6982348-B2 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-01-03 US disclosed
US-20040127574-A1 Aminoethanol derivatives TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-07-01 US disclosed
EP-1362846-A1 AMINOETHANOL DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 2003-11-19 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-20040127574-A1 Aminoethanol derivatives CETP, LCAT, MTTP SLC6A4 777/4885GRM8 2597/4885GRM4 3172/4885

“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.