SCHEMBL1809549

SCHEMBL1809549

Cn1nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc1C1CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.53
FPR2 P25090 4/20 0.45
PROKR1 Q8TCW9 4/20 0.45
EPHX2 P34913 2/20 0.45
SCD5 Q86SK9 1/20 0.44
HRH3 Q9Y5N1 2/20 0.44
CNR1 P21554 1/20 0.43
MCHR1 Q99705 2/20 0.43
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
TACR2 P21452 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
SCHEMBL1807305 0.87 KCNH2 (0.55) KCNH2FPR2PROKR1EPHX2SCD5
SCHEMBL1808828 0.83 FPR2 (0.52) KCNH2FPR2PROKR1EPHX2SCD5
SCHEMBL1811980 0.80 FPR2 (0.45) KCNH2FPR2PROKR1EPHX2HRH3
SCHEMBL1813139 0.78 SCD5 (0.56) KCNH2EPHX2SCD5HRH3MCHR1
SCHEMBL1806989 0.78 FPR2 (0.49) KCNH2FPR2PROKR1EPHX2HRH3
SCHEMBL1807391 0.77 FPR2 (0.46) KCNH2FPR2PROKR1EPHX2SCD5
SCHEMBL1812176 0.77 KDM5A (0.49) KCNH2FPR2PROKR1EPHX2SCD5
SCHEMBL1810192 0.76 CYP2D6 (0.63) KCNH2EPHX2SCD5HRH3MCHR1
SCHEMBL1806280 0.76 PIK3CD (0.51) KCNH2EPHX2SCD5HRH3CNR1
SCHEMBL1808692 0.76 ALDH1A1 (0.54) KCNH2EPHX2SCD5CNR1MCHR1

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 42/4885FPR2 419/4885PROKR1 3885/4885

“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.