SCHEMBL4550404

SCHEMBL4550404

NCc1ccc(OCC(F)F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
HTR2B P41595 2/20 0.39
ROCK2 O75116 2/20 0.39
ROCK1 Q13464 2/20 0.39
LOXL2 Q9Y4K0 2/20 0.38
AKT1 P31749 1/20 0.38
RPS6KA1 Q15418 1/20 0.38
LMNA P02545 1/20 0.36
HTT P42858 1/20 0.36
MAOB P27338 3/20 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
Hydrochloric Acid SCHEMBL2715847 0.98 HTR2A (0.41) CSNK2A1HTR2AHTR2CHTR2BROCK2
SCHEMBL23686906 0.85 ALDH1A1 (0.47) CSNK2A1HTR2AROCK2ROCK1LOXL2
SCHEMBL2715919 0.83 CYP4F2 (0.41) LMNAHTT
SCHEMBL22548326 0.83 TNKS2 (0.39) LMNAHTT
SCHEMBL2715112 0.83 HTT (0.37) HTR2AHTR2CHTR2BLMNAHTT
SCHEMBL4550411 0.81 CSNK2A1 (0.59) CSNK2A1HTR2AHTR2CHTR2BROCK2
SCHEMBL4550407 0.81 CSNK2A1 (0.41) CSNK2A1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2716247 0.80 CSNK2A1 (0.60) CSNK2A1HTR2AHTR2CHTR2BLMNA
Hydrochloric Acid SCHEMBL2716625 0.80 CSNK2A1 (0.43) CSNK2A1HTR2AHTR2CHTR2B
SCHEMBL4550723 0.80 KDM4E (0.49) CSNK2A1HTR2AHTR2CHTR2BLOXL2

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 CSNK2A1 2688/4885HTR2A 523/4885HTR2C 1121/4885

“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.