SCHEMBL322608

SCHEMBL322608

O=C(O)N1CCN(c2cc(-c3cc(-c4ccc(C(F)(F)F)cc4)ccc3OCc3ccccc3)ccn2)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER1 P34995 2/20 0.49
ITGB2 P05107 5/20 0.46
ICAM1 P05362 5/20 0.46
ITGAL P20701 5/20 0.46
GRM5 P41594 1/20 0.44
PTPN2 P17706 1/20 0.44
PTPN1 P18031 1/20 0.44
PTPN6 P29350 1/20 0.44
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
MAPK10 P53779 4/20 0.42
CYP2C9 P11712 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
SLC6A7 Q99884 1/20 0.41
ALOX5 P09917 1/20 0.41
PSEN1 P49768 1/20 0.41
RAB9A P51151 1/20 0.41
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL10185799 0.90 ALK (0.48) PTGER1ITGB2ICAM1ITGALACHE
SCHEMBL322569 0.83 GRM5 (0.57) PTGER1GRM5CYP2C9
SCHEMBL322676 0.82 SLC6A7 (0.45) ITGB2ICAM1ITGALMAPK10TRPV1
SCHEMBL3442387 0.75 ALDH1A1 (0.56) ITGB2ICAM1ITGALGRM5MAPK10
SCHEMBL10185800 0.75 GRM5 (0.52) PTGER1GRM5CYP2C9ACHE
SCHEMBL31590262 0.73 MGLL (0.59) ITGB2ICAM1ITGALGRM5MAPK10
SCHEMBL1690649 0.72 LRRK2 (0.47) ITGB2ICAM1ITGAL
SCHEMBL5238577 0.71 GRM5 (0.50) GRM5SLC6A7RAB9A
SCHEMBL3995545 0.70 PTPN1 (0.58) PTPN2PTPN1PTPN6RXRARXRB
SCHEMBL31590360 0.70 SLC6A7 (0.49) GRM5TRPV1SLC6A7

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 5 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
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 PTGER1 642/4885ITGB2 3340/4885ICAM1 828/4885

“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.