SCHEMBL20799404

SCHEMBL20799404

OC(O)C(F)(F)C1Cc2ccccc2C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 3/20 0.44
IDO1 P14902 2/20 0.34
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2C P18825 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
OPRK1 P41145 1/20 0.33
MTOR P42345 1/20 0.33
HTT P42858 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
GHSR Q92847 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL23731928 0.78 PNMT (0.50) PNMTHTR2AHTR2CSLC6A4PSEN1
SCHEMBL16595708 0.69 PNMT (0.39) PNMTPSEN1PSEN2APH1BNCSTN
SCHEMBL11527510 0.67 ANPEP (0.38) PNMTIDO1HTR2AHRH1DRD3
SCHEMBL5028027 0.67 PLAU (0.50) PNMT
SCHEMBL19393174 0.66 IDO1 (0.41) PNMTIDO1DRD3HTT
SCHEMBL4666509 0.66 IDO1 (0.41) PNMTIDO1
SCHEMBL17996474 0.64 KCNN4 (0.42) PNMTPSEN1PSEN2APH1BNCSTN
SCHEMBL5724797 0.62 GRM7 (0.41) IDO1HTR2ADRD3HRH3
SCHEMBL24890476 0.62 IDO1 (0.43) PNMTIDO1HTR2A
SCHEMBL24974992 0.62 IDO1 (0.38) PNMTIDO1CHRM1DRD2ADRA2C

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-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases BIOMARIN PHARMACEUTICAL INC. (US) 2019-03-12 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-10227323-B2 Glucosylceramide synthase inhibitors for the treatment of diseases GBA1, UGCG, GBA2 PNMT 2496/4885IDO1 3713/4885CHRM1 4601/4885

“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.