SCHEMBL17240474

SCHEMBL17240474

C[C@@H](NC(=O)c1cc2ccc(F)cc2[nH]1)c1cncc(OCC(F)(F)F)n1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AR P10275 3/20 0.46
ALOX15 P16050 1/20 0.41
ROCK2 O75116 3/20 0.40
ALB P02768 1/20 0.40
IL2 P60568 1/20 0.40
IDO1 P14902 1/20 0.39
FLT3 P36888 1/20 0.37
PDE2A O00408 1/20 0.36
PTGES O14684 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
PYGL P06737 1/20 0.35
RET P07949 1/20 0.35
KDR P35968 1/20 0.35
ROCK1 Q13464 1/20 0.35

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
SCHEMBL17240475 1.00 AR (0.46) ARALOX15ROCK2ALBIL2
SCHEMBL2137413 0.88 AR (0.46) ARALOX15ROCK2ALBIL2
SCHEMBL2137425 0.88 AR (0.46) ARALOX15ROCK2ALBIL2
SCHEMBL2137153 0.86 AR (0.46) ARALOX15ROCK2ALBIL2
SCHEMBL2137143 0.86 AR (0.46) ARALOX15ROCK2ALBIL2
SCHEMBL2944914 0.84 CACNA1I (0.52) ARALOX15ROCK2ALBIL2
SCHEMBL2944911 0.84 CACNA1I (0.52) ARALOX15ROCK2ALBIL2
SCHEMBL2133413 0.77 CACNA1I (0.52) ALBIL2FLT3PDE2APYGL
SCHEMBL2133424 0.77 CACNA1I (0.52) ALBIL2FLT3PDE2APYGL
SCHEMBL2136555 0.75 CACNA1I (0.52) ALOX15ROCK2FLT3PDE2ADRD2

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-9522140-B2 Aryl substituted carboxamide derivatives as calcium or sodium channel blockers RAQUALIA PHARMA INC. (JP) 2016-12-20 US disclosed
US-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS RAQUALIA PHARMA INC (JP) 2015-11-12 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-20150322052-A1 ARYL SUBSTITUTED CARBOXAMIDE DERIVATIVES AS CALCIUM OR SODIUM CHANNEL BLOCKERS CACNA1I, CACNA1G, CACNA1H AR 3195/4885ALOX15 4363/4885ROCK2 3980/4885

“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.