SCHEMBL1807491

SCHEMBL1807491

Cc1ncc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)s1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
MCHR1 Q99705 1/20 0.46
FPR2 P25090 4/20 0.44
PROKR1 Q8TCW9 4/20 0.44
EPHX2 P34913 2/20 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
MGLL Q99685 1/20 0.41
PRSS12 P56730 1/20 0.41
KMT2A Q03164 1/20 0.41
SCD5 Q86SK9 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
SCHEMBL1807243 0.80 ALDH1A1 (0.53) KCNH2MCHR1FPR2PROKR1EPHX2
SCHEMBL1812104 0.79 NAMPT (0.60) KCNH2MCHR1FPR2PROKR1EPHX2
SCHEMBL1807416 0.78 HRH3 (0.50) KCNH2MCHR1FPR2PROKR1EPHX2
SCHEMBL1812598 0.78 ALDH1A1 (0.56) KCNH2HRH3ALDH1A1HTTMGLL
SCHEMBL1809545 0.78 PRKAA2 (0.45) EPHX2MGLLSCD5
SCHEMBL1809711 0.77 FPR2 (0.47) KCNH2MCHR1FPR2PROKR1EPHX2
SCHEMBL12168195 0.77 FPR2 (0.49) KCNH2MCHR1FPR2PROKR1EPHX2
SCHEMBL1807447 0.77 TRPC3 (0.52) KCNH2MCHR1EPHX2HRH1CCR3
SCHEMBL1809378 0.77 HRH3 (0.54) KCNH2MCHR1EPHX2HRH3ALDH1A1
SCHEMBL1810177 0.77 EPHX2 (0.44) KCNH2MCHR1EPHX2HRH3ALDH1A1

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 KCNH2 42/4885MCHR1 2626/4885FPR2 419/4885

“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.