SCHEMBL4550407

SCHEMBL4550407

Cc1cc(CN)ccc1OCC(F)F

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CSNK2A1 P68400 6/20 0.41
SCN4A P35499 4/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 2/20 0.38
ALOX15 P16050 1/20 0.36
REN P00797 1/20 0.36
CTSD P07339 1/20 0.36
BACE1 P56817 1/20 0.36
BACE2 Q9Y5Z0 1/20 0.36
FFAR4 Q5NUL3 2/20 0.35
P2RX3 P56373 2/20 0.35
S1PR1 P21453 1/20 0.35
FFAR1 O14842 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
Hydrochloric Acid SCHEMBL2716625 0.98 CSNK2A1 (0.43) CSNK2A1SCN4AHTR2AHTR2CHTR2B
SCHEMBL18266460 0.89 CSNK2A1 (0.41) CSNK2A1SCN4AALOX15FFAR4
SCHEMBL19664434 0.87 ALOX15 (0.40) CSNK2A1SCN4AHTR2AHTR2CHTR2B
SCHEMBL2715809 0.83 KDM4E (0.39) SCN4AFFAR4P2RX3S1PR1FFAR1
SCHEMBL2718192 0.83 SCN4A (0.40) SCN4AHTR2AHTR2CHTR2BREN
SCHEMBL4550723 0.82 KDM4E (0.49) CSNK2A1HTR2AHTR2CHTR2B
SCHEMBL4550404 0.81 CSNK2A1 (0.39) CSNK2A1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2714173 0.81 KDM4E (0.47) CSNK2A1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL2715847 0.80 HTR2A (0.41) CSNK2A1HTR2AHTR2CHTR2B
SCHEMBL4550411 0.80 CSNK2A1 (0.59) CSNK2A1HTR2AHTR2CHTR2B

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 2688/4885SCN4A 20/4885HTR2A 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.