SCHEMBL20738451

SCHEMBL20738451

C[C@H](CO)c1cccc(C(C)(F)F)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
ABCB11 O95342 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
PTPN5 P54829 1/20 0.37
TRPA1 O75762 2/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
ACP3 P15309 2/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM3 P20309 1/20 0.36
CES2 O00748 1/20 0.36
RXRA P19793 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
EPHX1 P07099 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
SCHEMBL20812100 0.90 PNMT (0.42) PNMTABCB11SLC6A2SLC6A4PTPN5
SCHEMBL29949259 0.88 PNMT (0.56) PNMTSLC6A2SLC6A4HTR2AHTR2C
SCHEMBL25853626 0.88 PNMT (0.56) PNMTSLC6A2SLC6A4HTR2AHTR2C
SCHEMBL18211318 0.88 PNMT (0.56) PNMTSLC6A2SLC6A4HTR2AHTR2C
SCHEMBL16421362 0.88 PNMT (0.56) PNMTSLC6A2SLC6A4HTR2AHTR2C
SCHEMBL25094181 0.86 HDAC4 (0.42) PNMTABCB11TRPA1RXRAHDAC4
SCHEMBL12074843 0.84 HDAC4 (0.47) PNMTTAS1R3TAS1R1SLC6A4PTPN5
SCHEMBL25923475 0.83 TAAR1 (0.50) PNMTTAS1R3TAS1R1PTPN5HTR2A
SCHEMBL29256530 0.83 PNMT (0.54) PNMTTAS1R3TAS1R1CHRM2CHRM4
SCHEMBL29256529 0.83 PNMT (0.54) PNMTTAS1R3TAS1R1CHRM2CHRM4

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-20230019032-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2023-01-19 US disclosed
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-10-29 US disclosed
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2019-02-14 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 (3 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 PNMT 1178/4885TAS1R3 3777/4885TAS1R1 2368/4885
US-20190047990-A1 BENZOLACTAM COMPOUNDS AS PROTEIN KINASE INHIBITORS MAPK1, ALK, MAP3K1 PNMT 1178/4885TAS1R3 3777/4885TAS1R1 2368/4885
US-10457669-B2 Benzolactam compounds as protein kinase inhibitors MAPK1, ALK, MAP3K1 PNMT 1178/4885TAS1R3 3777/4885TAS1R1 2368/4885

“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.