SCHEMBL1809457

SCHEMBL1809457

Cn1ccnc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.47
PSEN1 P49768 1/20 0.46
PSEN2 P49810 1/20 0.46
APH1B Q8WW43 1/20 0.46
NCSTN Q92542 1/20 0.46
APH1A Q96BI3 1/20 0.46
PSENEN Q9NZ42 1/20 0.46
KCNH2 Q12809 1/20 0.45
MCHR1 Q99705 1/20 0.45
HRH3 Q9Y5N1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HTT P42858 1/20 0.43
SLC2A1 P11166 1/20 0.43
CNR1 P21554 1/20 0.43
FPR2 P25090 3/20 0.43
PROKR1 Q8TCW9 3/20 0.43
HRH1 P35367 1/20 0.42
CCR3 P51677 1/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2J2 P51589 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
SCHEMBL1808100 0.78 EPHX2 (0.47) EPHX2KCNH2MCHR1CNR1KMT2A
SCHEMBL1806216 0.78 ALDH1A1 (0.60) EPHX2HRH3ALDH1A1HTTCYP2C9
SCHEMBL1806630 0.77 HRH3 (0.64) KCNH2HRH3ALDH1A1HTTMGLL
SCHEMBL1811615 0.77 CNR1 (0.47) EPHX2CNR1MGLL
SCHEMBL1806280 0.77 PIK3CD (0.51) EPHX2KCNH2MCHR1HRH3CNR1
SCHEMBL1809331 0.76 RBP4 (0.60) EPHX2KCNH2MCHR1ALDH1A1HTT
SCHEMBL1805820 0.76 EPHX2 (0.47) EPHX2KCNH2MCHR1HRH3HRH1
SCHEMBL1811157 0.76 HRH3 (0.50) EPHX2KCNH2HRH3HRH1CCR3
SCHEMBL1810699 0.76 CNR1 (0.48) EPHX2KCNH2MCHR1ALDH1A1HTT
SCHEMBL1809963 0.76 POLB (0.56) EPHX2ALDH1A1HTTFPR2PROKR1

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 EPHX2 2869/4885PSEN1 2376/4885PSEN2 2880/4885

“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.