SCHEMBL1808368

SCHEMBL1808368

O=C(c1ccc2[nH]c(=O)[nH]c2c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.66
GRIN3B O60391 2/20 0.66
GRIN1 Q05586 2/20 0.66
GRIN2A Q12879 2/20 0.66
GRIN2B Q13224 2/20 0.66
GRIN2C Q14957 2/20 0.66
GRIN3A Q8TCU5 2/20 0.66
HRH3 Q9Y5N1 5/20 0.53
KMT2A Q03164 1/20 0.48
KCNH2 Q12809 1/20 0.47
EPHX2 P34913 2/20 0.47
MGLL Q99685 3/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2J2 P51589 1/20 0.45
HRH1 P35367 1/20 0.45
CCR3 P51677 1/20 0.45
PRSS12 P56730 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL1806630 0.84 HRH3 (0.64) HRH3KMT2AKCNH2MGLLMAPT
SCHEMBL1808860 0.82 MGLL (0.68) HRH3KMT2AEPHX2MGLLCYP2C9
SCHEMBL5792309 0.82 GRIN2D (0.64) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1811688 0.82 GHSR (0.53) HRH3
SCHEMBL1807533 0.81 CHRNA7 (0.53) HRH3CCR3
SCHEMBL1811990 0.81 NPC1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1806499 0.80 HRH3 (0.55) HRH3KMT2AEPHX2MGLLCYP2C9
SCHEMBL1809885 0.80 FASN (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4576874 0.80 GRIN2D (1.00) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4577792 0.80 GRIN2D (0.72) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 8 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-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 GRIN2D 480/4885GRIN3B 278/4885GRIN1 140/4885

“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.