SCHEMBL1809508

SCHEMBL1809508

O=C(c1ccc(N2CCCC2)cn1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 6/20 0.53
HRH3 Q9Y5N1 3/20 0.50
KCNH2 Q12809 3/20 0.47
MCHR1 Q99705 2/20 0.47
ALDH1A1 P00352 1/20 0.46
HTT P42858 1/20 0.46
PRKAB2 O43741 2/20 0.45
PRKAG1 P54619 2/20 0.45
PRKAA1 Q13131 2/20 0.45
PRKAG3 Q9UGI9 2/20 0.45
PRKAG2 Q9UGJ0 2/20 0.45
PRKAB1 Q9Y478 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MGLL Q99685 1/20 0.43
ACACB O00763 1/20 0.43
CNR1 P21554 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
SCHEMBL1809378 0.87 HRH3 (0.54) PRKAA2HRH3KCNH2MCHR1ALDH1A1
SCHEMBL1809588 0.84 HRH3 (0.51) PRKAA2HRH3KCNH2MCHR1PRKAB2
SCHEMBL1807416 0.83 HRH3 (0.50) PRKAA2HRH3KCNH2MCHR1PRKAB2
SCHEMBL1807888 0.83 HRH3 (0.50) PRKAA2HRH3KCNH2MCHR1ALDH1A1
SCHEMBL1810165 0.83 DRD3 (0.53) PRKAA2HRH3KCNH2MCHR1PRKAB2
SCHEMBL1807784 0.83 ACACB (0.49) PRKAA2HRH3KCNH2MCHR1ALDH1A1
SCHEMBL12099506 0.81 RBP4 (0.45) PRKAA2HRH3PRKAB2PRKAG1PRKAA1
SCHEMBL1806766 0.80 ALDH1A1 (0.53) HRH3KCNH2MCHR1ALDH1A1HTT
SCHEMBL1812104 0.80 NAMPT (0.60) HRH3KCNH2MCHR1ALDH1A1CNR1
SCHEMBL1805345 0.79 KCNH2 (0.46) HRH3KCNH2MCHR1ALDH1A1HTT

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 PRKAA2 3288/4885HRH3 1010/4885KCNH2 42/4885

“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.