SCHEMBL1807680

SCHEMBL1807680

Cc1nc(-c2ccccc2)ccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.48
MCHR1 Q99705 6/20 0.48
EPHX2 P34913 1/20 0.48
CNR1 P21554 4/20 0.47
SCD5 Q86SK9 1/20 0.47
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
NFKB1 P19838 1/20 0.46
RAB9A P51151 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 1/20 0.46
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
MLNR O43193 1/20 0.43
CYP3A4 P08684 1/20 0.43
PRSS12 P56730 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
SCHEMBL1809327 0.84 KCNH2 (0.49) KCNH2MCHR1EPHX2CNR1SCD5
SCHEMBL1811002 0.80 HCRTR1 (0.49) KCNH2MCHR1EPHX2CNR1SCD5
SCHEMBL1809963 0.80 POLB (0.56) EPHX2ALDH1A1HRH1CCR3
SCHEMBL1808605 0.78 SCD5 (0.54) KCNH2MCHR1EPHX2CNR1SCD5
SCHEMBL1810463 0.76 SCD5 (0.55) KCNH2MCHR1EPHX2CNR1SCD5
SCHEMBL1808901 0.76 MGLL (0.63) EPHX2MAPTALDH1A1HRH1CCR3
SCHEMBL1809818 0.76 MAPT (0.59) EPHX2CNR1NPC1MAPTNFKB1
SCHEMBL1809962 0.76 MGLL (0.64) EPHX2CNR1SCD5HRH1CCR3
SCHEMBL1810806 0.75 PROKR1 (0.60) KCNH2MCHR1EPHX2CNR1MAPT
SCHEMBL1809256 0.75 MGLL (0.68) EPHX2NPC1ALDH1A1HRH1CCR3

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 2626/4885EPHX2 2869/4885

“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.