SCHEMBL1809327

SCHEMBL1809327

Cc1nc(-c2ccccc2)ncc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
MCHR1 Q99705 5/20 0.49
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.48
POLB P06746 1/20 0.48
HTR2B P41595 1/20 0.47
EPHX2 P34913 1/20 0.46
CNR1 P21554 2/20 0.46
SCD5 Q86SK9 1/20 0.45
HRH1 P35367 1/20 0.43
CCR3 P51677 1/20 0.43
PRSS12 P56730 1/20 0.43
MGLL Q99685 1/20 0.43

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
SCHEMBL1808454 0.90 MLNR (0.47) KCNH2MCHR1TDP1HTR2BCNR1
SCHEMBL1811002 0.84 HCRTR1 (0.49) KCNH2MCHR1EPHX2CNR1SCD5
SCHEMBL1807680 0.84 KCNH2 (0.48) KCNH2MCHR1EPHX2CNR1SCD5
SCHEMBL1805211 0.82 SPR (0.46) TDP1CYP1A2POLBHTR2BMGLL
SCHEMBL1809963 0.78 POLB (0.56) TDP1POLBEPHX2HRH1CCR3
SCHEMBL1808901 0.77 MGLL (0.63) EPHX2HRH1CCR3MGLL
SCHEMBL1808605 0.76 SCD5 (0.54) KCNH2MCHR1EPHX2CNR1SCD5
SCHEMBL1809818 0.76 MAPT (0.59) EPHX2CNR1
SCHEMBL1810620 0.76 CCR3 (0.52) KCNH2MCHR1EPHX2CNR1CCR3
SCHEMBL1810804 0.75 GFER (0.49) KCNH2CYP1A2EPHX2CNR1HRH1

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 2626/4885TDP1 1606/4885

“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.