SCHEMBL1807280

SCHEMBL1807280

CCCOc1cccnc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 2/20 0.49
HCRTR2 O43614 2/20 0.49
CNR1 P21554 5/20 0.47
POLB P06746 1/20 0.46
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 1/20 0.43
KCNH2 Q12809 1/20 0.42
MCHR1 Q99705 1/20 0.42
EPHX2 P34913 2/20 0.42
RBP4 P02753 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
SCHEMBL1810699 0.83 CNR1 (0.48) CNR1POLBKMT2AALDH1A1HTT
SCHEMBL1810862 0.82 CNR1 (0.49) CNR1POLBALDH1A1HTTKCNH2
SCHEMBL1806957 0.78 ALDH1A1 (0.47) CNR1ALDH1A1HTTEPHX2
SCHEMBL1808423 0.78 POLB (0.65) HCRTR1HCRTR2POLBKMT2AALDH1A1
SCHEMBL1809963 0.77 POLB (0.56) POLBALDH1A1HTTEPHX2
SCHEMBL1805319 0.76 CNR1 (0.47) CNR1POLBALDH1A1HTTKCNH2
SCHEMBL1809331 0.75 RBP4 (0.60) CNR1ALDH1A1HTTKCNH2MCHR1
SCHEMBL1810106 0.75 CCR3 (0.51) HCRTR1CNR1ALDH1A1HTTKCNH2
SCHEMBL1807921 0.73 CHRM2 (0.58) HCRTR1HCRTR2CNR1POLBALDH1A1
SCHEMBL1810366 0.73 HRH1 (0.51) POLBALDH1A1HTTEPHX2

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 HCRTR1 483/4885HCRTR2 280/4885CNR1 149/4885

“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.