SCHEMBL1808199

SCHEMBL1808199

O=C(c1ccn2ccnc2c1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
HRH1 P35367 2/20 0.46
CCR3 P51677 2/20 0.46
ALDH1A1 P00352 2/20 0.45
HTT P42858 1/20 0.45
EPHX2 P34913 3/20 0.44
HSD11B1 P28845 2/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2J2 P51589 1/20 0.42
MGLL Q99685 1/20 0.42
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
SCHEMBL1810907 0.85 HRH3 (0.48) HRH3ALDH1A1HTTEPHX2HSD11B1
SCHEMBL1806565 0.79 HPGD (0.56) HRH3CCR3ALDH1A1HTTEPHX2
SCHEMBL1807537 0.79 HRH3 (0.50) HRH3HRH1CCR3ALDH1A1HTT
SCHEMBL1806216 0.79 ALDH1A1 (0.60) HRH3ALDH1A1HTTEPHX2CYP2C9
SCHEMBL1806630 0.79 HRH3 (0.64) HRH3ALDH1A1HTTKCNH2MGLL
SCHEMBL1809437 0.78 PROKR1 (0.56) HRH3ALDH1A1HTTEPHX2NOS3
SCHEMBL1808762 0.78 HRH1 (0.70) HRH3HRH1CCR3EPHX2CYP2C9
SCHEMBL1811157 0.77 HRH3 (0.50) HRH3HRH1CCR3EPHX2KCNH2
SCHEMBL1809525 0.77 HTR2A (0.51) HRH3HRH1CCR3ALDH1A1HTT
SCHEMBL1805362 0.77 HRH1 (0.57) HRH3HRH1CCR3ALDH1A1HTT

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 HRH3 1010/4885HRH1 819/4885CCR3 2942/4885

“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.