SCHEMBL5752240

SCHEMBL5752240

CC(C)c1ccc(CC(N)C(O)c2ccc(F)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.49
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IDO1 P14902 2/20 0.40
AOC3 Q16853 1/20 0.39
HTT P42858 1/20 0.39
TAAR1 Q96RJ0 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 1/20 0.37
ESR1 P03372 1/20 0.36
ESR2 Q92731 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
SCHEMBL5749249 0.92 TRPA1 (0.47) TRPA1IDO1AOC3HTTTAAR1
SCHEMBL5753279 0.85 TRPA1 (0.42) TRPA1AOC3HTTTAAR1
SCHEMBL5752561 0.84 ADRA2A (0.40) TRPA1
SCHEMBL5752285 0.83 CYP1A2 (0.55) MEN1KMT2AAOC3HTT
SCHEMBL5749784 0.82 TRPA1 (0.41) TRPA1AOC3ESR1ESR2
SCHEMBL5750053 0.81 TRPA1 (0.39) TRPA1IDO1TAAR1
SCHEMBL6578585 0.81 TRPA1 (0.39) TRPA1IDO1TAAR1
SCHEMBL5751727 0.81 TRPA1 (0.39) TRPA1IDO1TAAR1
Hydrochloric Acid SCHEMBL5751082 0.80 TACR1 (0.39) TRPA1IDO1TAAR1
SCHEMBL5751018 0.80 MAOA (0.44) TRPA1

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 TRPA1 3461/4885MEN1 2847/4885KMT2A 404/4885

“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.