SCHEMBL4550411

SCHEMBL4550411

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 8/20 0.59
MRGPRX4 Q96LA9 1/20 0.48
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
GLA P06280 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
ROCK2 O75116 2/20 0.38
ROCK1 Q13464 2/20 0.38
PRKCA P17252 1/20 0.38
AKT1 P31749 1/20 0.38
RPS6KA1 Q15418 1/20 0.38

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 SCHEMBL2716247 0.98 CSNK2A1 (0.60) CSNK2A1MRGPRX4HTR2AHTR2CHTR2B
SCHEMBL18266448 0.88 CSNK2A1 (0.61) CSNK2A1MRGPRX4GLASMN1; SMN2LMNA
SCHEMBL2714429 0.85 TTR (0.43) CSNK2A1MRGPRX4HTR2AHTR2CHTR2B
SCHEMBL2716370 0.83 NPC1 (0.52) CSNK2A1MRGPRX4HTR2AHTR2CHTR2B
SCHEMBL4550404 0.81 CSNK2A1 (0.39) CSNK2A1HTR2AHTR2CHTR2BLMNA
SCHEMBL17159703 0.81 SMN1; SMN2 (0.41) CSNK2A1MRGPRX4HTR2AHTR2CHTR2B
SCHEMBL4550407 0.80 CSNK2A1 (0.41) CSNK2A1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2715847 0.80 HTR2A (0.41) CSNK2A1HTR2AHTR2CHTR2BLMNA
SCHEMBL4689675 0.80 CSNK2A1 (0.55) CSNK2A1MRGPRX4GLASMN1; SMN2LMNA
SCHEMBL4688982 0.80 CSNK2A1 (0.55) CSNK2A1MRGPRX4GLASMN1; SMN2LMNA

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 2688/4885MRGPRX4 950/4885HTR2A 523/4885

“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.