SCHEMBL24925835

SCHEMBL24925835

COc1cccc(C[C@H](C)CO)c1

nearest known ligand 0.67

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 3/20 0.67
IDO1 P14902 2/20 0.50
AGXT P21549 2/20 0.50
ADRB2 P07550 2/20 0.49
TSHR P16473 1/20 0.49
MAPK1 P28482 1/20 0.49
CHRM2 P08172 3/20 0.47
CHRM1 P11229 2/20 0.47
CHRM3 P20309 2/20 0.47
CMA1 P23946 1/20 0.46
CYP1A2 P05177 1/20 0.45

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
SCHEMBL8592674 1.00 TAAR1 (0.67) TAAR1IDO1AGXTADRB2TSHR
SCHEMBL27528330 0.88 TAAR1 (0.70) TAAR1IDO1AGXTADRB2CHRM2
SCHEMBL13006639 0.84 TAAR1 (0.69) TAAR1IDO1AGXTADRB2CHRM2
SCHEMBL9810888 0.84 TAAR1 (0.47) TAAR1ADRB2TSHRMAPK1
SCHEMBL9810853 0.83 PTGES (0.50) TAAR1TSHR
SCHEMBL7510495 0.83 TAAR1 (0.62) TAAR1IDO1AGXTADRB2TSHR
SCHEMBL7510484 0.83 TAAR1 (0.62) TAAR1IDO1AGXTADRB2TSHR
SCHEMBL9781361 0.83 TAAR1 (0.72) TAAR1IDO1AGXTADRB2CHRM2
SCHEMBL9071087 0.82 TAAR1 (0.71) TAAR1IDO1AGXTADRB2CHRM2
SCHEMBL29365903 0.82 TAAR1 (0.71) TAAR1IDO1AGXTADRB2CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 TAAR1 685/4885IDO1 1700/4885AGXT 4049/4885

“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.