SCHEMBL2715682

SCHEMBL2715682

Cc1cc(C(=O)NC(C)c2ccc(OCC(C)(F)F)nc2)cc(NC(=O)C2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.38
P2RX2 Q9UBL9 9/20 0.38
ABL1 P00519 5/20 0.38
NR1I2 O75469 1/20 0.38
CYP2C9 P11712 1/20 0.38
ACACB O00763 3/20 0.38
GSK3A P49840 2/20 0.38
GSK3B P49841 2/20 0.38
ACACA Q13085 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
SCHEMBL2717949 0.94 GSK3A (0.43) P2RX3P2RX2CYP2C9ACACBGSK3A
SCHEMBL2715296 0.92 P2RX3 (0.38) P2RX3P2RX2ABL1ACACBGSK3A
SCHEMBL2715384 0.92 ACACB (0.39) P2RX3P2RX2ABL1ACACBGSK3A
SCHEMBL2714262 0.92 GSK3A (0.41) P2RX3P2RX2CYP2C9ACACBGSK3A
SCHEMBL2714726 0.92 GSK3A (0.41) P2RX3P2RX2CYP2C9ACACBGSK3A
SCHEMBL2715036 0.90 NR1I2 (0.39) P2RX3P2RX2NR1I2CYP2C9ACACB
SCHEMBL2717579 0.90 NR1I2 (0.40) P2RX3P2RX2NR1I2CYP2C9ACACB
SCHEMBL2719757 0.89 ACACB (0.48) P2RX3P2RX2ABL1ACACBGSK3A
SCHEMBL2714136 0.89 SCN9A (0.47) P2RX3P2RX2NR1I2CYP2C9GSK3B
SCHEMBL2716535 0.88 GSK3B (0.50) GSK3AGSK3B

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 13 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 claimed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US claimed
US-20140336377-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2014-11-13 US claimed
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP claimed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO claimed
CN-106478497-B Arylamine derivatives as TTX-S blockers 拉夸里亚创药株式会社 2020-05-08 CN disclosed
EP-2630122-B1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC (JP) 2016-11-30 EP disclosed
US-9302991-B2 Arylamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2016-04-05 US 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
EP-2630122-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RaQualia Pharma Inc (JP) 2013-08-28 EP disclosed
WO-2012053186-A1 ARYLAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-04-26 WO 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 P2RX3 213/4885P2RX2 252/4885ABL1 774/4885

“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.