SCHEMBL1807208

SCHEMBL1807208

COc1ccc2c(c1)c(C(=O)N1CCC(Oc3ccc(Cl)cc3)CC1)cn2C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.49
PSEN2 P49810 1/20 0.49
APH1B Q8WW43 1/20 0.49
NCSTN Q92542 1/20 0.49
APH1A Q96BI3 1/20 0.49
PSENEN Q9NZ42 1/20 0.49
MGLL Q99685 5/20 0.45
GFER P55789 1/20 0.44
ABCG2 Q9UNQ0 1/20 0.44
TP53 P04637 1/20 0.44
EPHX2 P34913 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CPS1 P31327 1/20 0.42
ADRB2 P07550 1/20 0.41
NOS3 P29474 1/20 0.41
NOS1 P29475 1/20 0.41
NOS2 P35228 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL1812133 0.94 PSEN1 (0.56) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1807927 0.93 EPHX2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1807267 0.91 CNR1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1810470 0.89 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1809211 0.86 EPHX2 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1811335 0.86 TPSAB1 (0.51) MGLLGFEREPHX2
SCHEMBL1806283 0.84 CNR1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1810732 0.83 PSEN1 (0.55) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL1808905 0.82 EPHX2 (0.45) MGLLGFERTP53EPHX2
SCHEMBL1809393 0.81 MGLL (0.50) MGLLABCG2TP53EPHX2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US claimed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US claimed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 WO claimed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-9051296-B2 Aryl carboxamide derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2015-06-09 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
US-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2012-09-13 US disclosed
WO-2011058766-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2011-05-19 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-20120232052-A1 ARYL CARBOXAMIDE DERIVATIVES AS TTX-S BLOCKERS SCN1B, SCN1A, SCN2B PSEN1 2376/4885PSEN2 2880/4885APH1B 2144/4885

“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.