SCHEMBL1809682

SCHEMBL1809682

Cc1c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cnn1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PROKR1 Q8TCW9 6/20 0.54
FPR2 P25090 5/20 0.54
SPR P35270 1/20 0.47
ACACB O00763 1/20 0.45
EPHX2 P34913 2/20 0.44
KCNH2 Q12809 1/20 0.44
MCHR1 Q99705 1/20 0.44
HRH1 P35367 1/20 0.44
CCR3 P51677 1/20 0.44
HRH3 Q9Y5N1 1/20 0.43
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
CNR1 P21554 1/20 0.42
OPRM1 P35372 1/20 0.42

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
SCHEMBL1809818 0.84 MAPT (0.59) SPREPHX2ALDH1A1CNR1
SCHEMBL1806948 0.83 MAPT (0.53) SPRMCHR1ALDH1A1
SCHEMBL1809288 0.80 ALDH1A1 (0.50) PROKR1FPR2EPHX2KCNH2MCHR1
SCHEMBL12168195 0.80 FPR2 (0.49) PROKR1FPR2ACACBEPHX2KCNH2
SCHEMBL1807305 0.80 KCNH2 (0.55) PROKR1FPR2EPHX2KCNH2HRH1
SCHEMBL1807454 0.80 FPR2 (0.60) PROKR1FPR2
SCHEMBL1810806 0.80 PROKR1 (0.60) PROKR1FPR2EPHX2KCNH2MCHR1
SCHEMBL1812104 0.79 NAMPT (0.60) PROKR1FPR2EPHX2KCNH2MCHR1
SCHEMBL1812620 0.78 KCNH2 (0.51) PROKR1FPR2EPHX2KCNH2MCHR1
SCHEMBL1807732 0.78 HRH3 (0.49) PROKR1FPR2EPHX2HRH3ALDH1A1

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
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-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 PROKR1 3885/4885FPR2 419/4885SPR 1986/4885

“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.