SCHEMBL4550759

SCHEMBL4550759

CC(N)c1ccc(OCC(F)F)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 3/20 0.41
RPS6KA1 Q15418 3/20 0.41
PRKCA P17252 1/20 0.41
GRK2 P25098 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.39
PDE2A O00408 1/20 0.39
ALDH1A1 P00352 1/20 0.36
GAA P10253 1/20 0.36
AAK1 Q2M2I8 4/20 0.36
CYP3A4 P08684 2/20 0.36
HTR2A P28223 2/20 0.35
HTR2C P28335 2/20 0.35
HTR2B P41595 2/20 0.35
KDM1A O60341 2/20 0.34
REN P00797 1/20 0.33
CTSD P07339 1/20 0.33
BACE1 P56817 1/20 0.33
BACE2 Q9Y5Z0 1/20 0.33
SCN4A P35499 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
Hydrochloric Acid SCHEMBL2716784 0.98 AKT1 (0.40) AKT1RPS6KA1PRKCAGRK2MRGPRX4
SCHEMBL12094250 0.87 DUT (0.41) AKT1RPS6KA1PRKCAGRK2HTR2A
SCHEMBL4550350 0.84 SCN4A (0.44) AKT1RPS6KA1PRKCAGRK2ALDH1A1
SCHEMBL13877330 0.83 KDM1A (0.49) AKT1RPS6KA1PRKCAGRK2MRGPRX4
SCHEMBL4550482 0.83 HTR2A (0.39) MRGPRX4ALDH1A1GAAAAK1CYP3A4
Hydrochloric Acid SCHEMBL2714291 0.83 SCN4A (0.43) AKT1RPS6KA1PRKCAGRK2ALDH1A1
SCHEMBL4550767 0.83 SMN1; SMN2 (0.41) ALDH1A1GAAHTR2A
Hydrochloric Acid SCHEMBL4235164 0.82 KDM1A (0.48) AKT1RPS6KA1PRKCAGRK2MRGPRX4
Hydrochloric Acid SCHEMBL2715699 0.81 HTR2A (0.41) MRGPRX4ALDH1A1GAAAAK1CYP3A4
Hydrochloric Acid SCHEMBL2714282 0.81 SMN1; SMN2 (0.41) ALDH1A1GAAHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO 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-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN2B, SCN1B, SCN2A AKT1 4781/4885RPS6KA1 3460/4885PRKCA 4216/4885

“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.