SCHEMBL4550808

SCHEMBL4550808

CC(N)c1ccc(NCC(F)(F)F)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.39
PDE2A O00408 1/20 0.37
HDAC4 P56524 1/20 0.36
AAK1 Q2M2I8 3/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPK1 P28482 1/20 0.34
HCAR3 P49019 1/20 0.34
HCAR2 Q8TDS4 1/20 0.34
DEGS1 O15121 1/20 0.34
NUDT1 P36639 1/20 0.33
BCDIN3D Q7Z5W3 3/20 0.33
ACACB O00763 1/20 0.32
IL1B P01584 1/20 0.32
NLRP3 Q96P20 1/20 0.32

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 SCHEMBL2716012 0.98 PDE10A (0.39) PDE10APDE2AHDAC4AAK1MEN1
SCHEMBL18266146 0.89 PDE2A (0.39) PDE10APDE2AAAK1MEN1NPC1
SCHEMBL2715848 0.76 PDE10A (0.34) PDE10AHDAC4AAK1MEN1NPC1
SCHEMBL2715746 0.76 PDE10A (0.34) PDE10AHDAC4AAK1MEN1NPC1
SCHEMBL28394898 0.76 PDE10A (0.34) PDE10AHDAC4AAK1MEN1NPC1
SCHEMBL2715850 0.76 PDE10A (0.34) PDE10AHDAC4AAK1MEN1NPC1
SCHEMBL29580764 0.75 PTGS1 (0.45) PDE10AHDAC4MEN1NPC1RAB9A
SCHEMBL24581049 0.74 GAA (0.47) PDE2AMEN1NPC1ALDH1A1MAPT
SCHEMBL4317138 0.74 NNMT (0.46) PDE2AAAK1MAPTHCAR3DEGS1
SCHEMBL19122592 0.73 NUDT1 (0.44) MEN1NPC1ALDH1A1MAPTRAB9A

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 6 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-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
CN-103249721-A Arylamine Derivatives as TTX-S Blockers RAQUALIA PHARMA INC 2013-08-14 CN 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 PDE10A 980/4885PDE2A 447/4885HDAC4 593/4885

“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.