SCHEMBL4550768

SCHEMBL4550768

CC(N)c1cc(F)c(OCC(F)F)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN5A Q14524 3/20 0.34
SCN9A Q15858 3/20 0.34
SCN4A P35499 9/20 0.33
CYP3A4 P08684 3/20 0.33
LMNA P02545 2/20 0.33
SCN1A P35498 2/20 0.33
MAPT P10636 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2D6 P10635 2/20 0.33
NFKB1 P19838 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
KCNK3 O14649 1/20 0.33
CACNA1F O60840 1/20 0.33
KCNK2 O95069 1/20 0.33
GBA1 P04062 1/20 0.33
MAOA P21397 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR2B P41595 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 SCHEMBL2716655 0.98 MAPT (0.35) SCN5ASCN9ASCN4ACYP3A4LMNA
SCHEMBL18266698 0.89 SCN4A (0.33) SCN5ASCN9ASCN4ACYP3A4LMNA
SCHEMBL4550431 0.82 SCN4A (0.46) SCN5ASCN9ASCN4ACYP3A4LMNA
Hydrochloric Acid SCHEMBL2716056 0.81 SCN5A (0.46) SCN5ASCN9ASCN4ACYP3A4LMNA
SCHEMBL18266771 0.80 SCN4A (0.39) SCN5ASCN9ASCN4ACYP3A4LMNA
SCHEMBL24158915 0.78 RXRA (0.33) SCN5ASCN9ASCN4ACYP3A4LMNA
SCHEMBL29684287 0.78 RXRA (0.33) SCN5ASCN9ASCN4ACYP3A4LMNA
SCHEMBL4550759 0.78 AKT1 (0.41) SCN4ACYP3A4HTR2AHTR2B
Hydrochloric Acid SCHEMBL2716784 0.77 AKT1 (0.40) CYP3A4HTR2AHTR2B
SCHEMBL28093517 0.76 MAPT (0.41) SCN9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 SCN5A 4/4885SCN9A 31/4885SCN4A 20/4885

“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.