SCHEMBL1807949

SCHEMBL1807949

Cc1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c2c(C)nn(C)c2n1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 6/20 0.48
PROKR1 Q8TCW9 6/20 0.48
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
EPHX2 P34913 1/20 0.41
KDM4E B2RXH2 1/20 0.41
KCNH2 Q12809 1/20 0.41
MAPT P10636 1/20 0.41
GRIN2D O15399 1/20 0.40
GRIN3B O60391 1/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2A Q12879 1/20 0.40
GRIN2B Q13224 1/20 0.40
GRIN2C Q14957 1/20 0.40
GRIN3A Q8TCU5 1/20 0.40
HRH3 Q9Y5N1 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
SCHEMBL1810913 0.82 PDE4A (0.43) FPR2PROKR1LMNATP53MAPT
SCHEMBL1809061 0.81 KDM4E (0.44) FPR2PROKR1EPHX2KDM4EKCNH2
SCHEMBL1806989 0.77 FPR2 (0.49) FPR2PROKR1EPHX2KCNH2GRIN2D
SCHEMBL1807454 0.77 FPR2 (0.60) FPR2PROKR1KDM4EMAPT
SCHEMBL1810806 0.77 PROKR1 (0.60) FPR2PROKR1EPHX2KCNH2MAPT
SCHEMBL1809682 0.75 PROKR1 (0.54) FPR2PROKR1EPHX2KCNH2HRH3
SCHEMBL1807305 0.75 KCNH2 (0.55) FPR2PROKR1EPHX2KDM4EKCNH2
SCHEMBL1808441 0.74 NPSR1 (0.57) FPR2PROKR1LMNATP53KDM4E
SCHEMBL1810382 0.74 MGLL (0.53) EPHX2HRH3
SCHEMBL12168195 0.73 FPR2 (0.49) FPR2PROKR1EPHX2KCNH2GRIN2D

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 FPR2 419/4885PROKR1 3885/4885LMNA 3683/4885

“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.