SCHEMBL1809331

SCHEMBL1809331

O=C(c1ccccn1)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.57
EPHX2 P34913 2/20 0.52
SCD5 Q86SK9 1/20 0.51
ALDH1A1 P00352 3/20 0.51
CNR1 P21554 1/20 0.48
KDM4E B2RXH2 1/20 0.48
HTT P42858 1/20 0.47
KCNH2 Q12809 1/20 0.47
MCHR1 Q99705 1/20 0.47

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 0.85 HRH3 (0.54) EPHX2SCD5ALDH1A1CNR1HTT
SCHEMBL1809713 0.84 NAMPT (0.62) RBP4EPHX2SCD5ALDH1A1CNR1
SCHEMBL1809956 0.82 SCD5 (0.51) EPHX2SCD5ALDH1A1CNR1HTT
SCHEMBL1805820 0.82 EPHX2 (0.47) RBP4EPHX2SCD5KCNH2MCHR1
SCHEMBL1806629 0.82 HRH3 (0.49) EPHX2SCD5ALDH1A1CNR1HTT
SCHEMBL1810580 0.82 CCR3 (0.47) EPHX2SCD5ALDH1A1CNR1KDM4E
SCHEMBL1810046 0.82 ALDH1A1 (0.55) EPHX2SCD5ALDH1A1HTTKCNH2
SCHEMBL1810121 0.82 EPHX2 (0.48) EPHX2SCD5ALDH1A1CNR1HTT
SCHEMBL1809588 0.82 HRH3 (0.51) EPHX2SCD5CNR1KCNH2MCHR1
SCHEMBL24267076 0.82 AR (0.55) RBP4L3MBTL1EPHX2SCD5

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 RBP4 4761/4885L3MBTL1 3351/4885EPHX2 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.