SCHEMBL322676

SCHEMBL322676

O=C(O)N1CCN(c2cc(-c3cc(-c4ccc(C(F)(F)F)cc4)ccc3O)ccn2)CC1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A7 Q99884 2/20 0.45
ABL1 P00519 1/20 0.44
MAPT P10636 1/20 0.44
MAPK10 P53779 4/20 0.44
ITGB2 P05107 5/20 0.43
ICAM1 P05362 5/20 0.43
ITGAL P20701 5/20 0.43
TRPV1 Q8NER1 2/20 0.43
MGLL Q99685 2/20 0.42
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
BCHE P06276 1/20 0.39
ACHE P22303 1/20 0.39
BACE1 P56817 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL1690649 0.86 LRRK2 (0.47) MAPTITGB2ICAM1ITGAL
SCHEMBL322608 0.82 PTGER1 (0.49) SLC6A7MAPK10ITGB2ICAM1ITGAL
SCHEMBL322939 0.80 MGLL (0.48) MAPK10TRPV1MGLL
SCHEMBL31590262 0.79 MGLL (0.59) SLC6A7MAPK10ITGB2ICAM1ITGAL
SCHEMBL3442387 0.77 ALDH1A1 (0.56) SLC6A7MAPK10ITGB2ICAM1ITGAL
SCHEMBL31590360 0.76 SLC6A7 (0.49) SLC6A7TRPV1MGLLHTTL3MBTL1
SCHEMBL5232948 0.75 MGLL (0.60) SLC6A7ABL1MAPTMGLLHTT
SCHEMBL10185799 0.73 ALK (0.48) ITGB2ICAM1ITGALACHE
SCHEMBL31590138 0.73 MAPK10 (0.54) SLC6A7MAPK10MGLLL3MBTL1
SCHEMBL5231928 0.71 CA12 (0.66) SLC6A7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2590951-B1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LTD (GB) 2015-01-07 EP disclosed
US-8772293-B2 Chemical compounds PFIZER LIMITED (GB) 2014-07-08 US disclosed
EP-2590951-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS Pfizer Limited (GB) 2013-05-15 EP disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
WO-2012004743-A1 BENZENESULFONAMIDES USEFUL AS SODIUM CHANNEL INHIBITORS PFIZER LIMITED (GB) 2012-01-12 WO disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US disclosed
US-20120010182-A1 Chemical Compounds ICAGEN INC. (US) 2012-01-12 US 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-20120010182-A1 Chemical Compounds SCN1A, SCN1B, CACNA1E SLC6A7 1187/4885ABL1 607/4885MAPT 3814/4885

“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.