SCHEMBL31173403

SCHEMBL31173403

CC(=O)c1ccc2c(c1)CCN(C(=O)OCc1ccccc1)C2

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 20/20 0.68
SIGMAR1 Q99720 20/20 0.68
HRH1 P35367 5/20 0.57
HRH3 Q9Y5N1 4/20 0.57
HRH2 P25021 4/20 0.57
HTR2C P28335 4/20 0.57
ADRA2A P08913 3/20 0.57
ADRA2B P18089 3/20 0.57
HTR1E P28566 3/20 0.57
DRD3 P35462 2/20 0.57
HTR1A P08908 3/20 0.56
HTR2A P28223 3/20 0.56
HTR2B P41595 3/20 0.56
HTR1B P28222 2/20 0.56
ADRA2C P18825 1/20 0.56
DRD1 P21728 1/20 0.56
SLC6A4 P31645 1/20 0.56
CHRM5 P08912 2/20 0.53
ADRA1D P25100 2/20 0.53
CHRM4 P08173 1/20 0.53

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
SCHEMBL1027550 0.91 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL2277280 0.89 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1082437 0.87 TMEM97 (0.64) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL1793928 0.86 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL19622378 0.86 TMEM97 (0.71) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL3187484 0.85 TMEM97 (0.70) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL30645345 0.85 TMEM97 (0.70) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL31371636 0.85 TMEM97 (0.61) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL8463640 0.84 TMEM97 (0.66) TMEM97SIGMAR1HRH1HRH3HRH2
SCHEMBL324228 0.84 TMEM97 (0.67) TMEM97SIGMAR1HRH1HRH3HRH2

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
EP-4692057-A1 NOVEL B0AT1 INHIBITOR Mitsubishi Tanabe Pharma Corporation (JP) 2026-02-11 EP disclosed
US-20260001849-A1 NOVEL B0AT1 INHIBITOR MITSUBISHI TANABE PHARMA CORPORATION (JP) 2026-01-01 US disclosed
WO-2024210198-A1 NOVEL B0AT1 INHIBITOR 田辺三菱製薬株式会社 2024-10-10 WO 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-20260001849-A1 NOVEL B0AT1 INHIBITOR BCAT1, BCAT2, BHMT TMEM97 1010/4885SIGMAR1 1486/4885HRH1 2711/4885

“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.