SCHEMBL17669889

SCHEMBL17669889

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nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CASR P41180 15/20 0.55
WDR5 P61964 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
NSD2 O96028 1/20 0.32
MMP14 P50281 1/20 0.32
CASP6 P55212 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ACLY P53396 1/20 0.32

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
SCHEMBL14471541 0.81 CASR (0.56) CASRHPGDALOX15ACLY
SCHEMBL14471683 0.81 CASR (0.56) CASRHPGDALOX15ACLY
SCHEMBL14877427 0.77 CASR (0.67) CASR
SCHEMBL6005143 0.77 CASR (0.67) CASR
SCHEMBL14791493 0.76 CASR (0.69) CASRACLY
SCHEMBL176932 0.76 CASR (0.66) CASR
SCHEMBL14471538 0.75 CASR (0.69) CASRACLY
SCHEMBL14471571 0.74 CASR (0.66) CASRACLY
SCHEMBL18469096 0.74 CASR (0.66) CASRACLY
SCHEMBL14471569 0.74 CASR (0.66) CASRACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9561216-B2 Alkylamine derivative EA PHARMA CO., LTD. (JP) 2017-02-07 US disclosed
US-20160101091-A1 ALKYLAMINE DERIVATIVE AJINOMOTO CO., INC. (JP) 2016-04-14 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 (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-20160101091-A1 ALKYLAMINE DERIVATIVE CASR, TAAR5, TAAR1 CASR 1/4885WDR5 2676/4885KDM4E 2311/4885

“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.