SCHEMBL1811630

SCHEMBL1811630

Cn1nc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 1/20 0.54
CNR1 P21554 7/20 0.51
DRD2 P14416 2/20 0.49
HTR2A P28223 2/20 0.49
EPHX2 P34913 1/20 0.47
KCNH2 Q12809 1/20 0.46
MMP2 P08253 1/20 0.45
MMP9 P14780 1/20 0.45
KDM1A O60341 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
FPR2 P25090 2/20 0.44
PROKR1 Q8TCW9 2/20 0.44

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
SCHEMBL1808676 0.89 RBP4 (0.57) RBP4CNR1DRD2HTR2AKCNH2
SCHEMBL1805319 0.85 CNR1 (0.47) CNR1EPHX2KCNH2FPR2PROKR1
SCHEMBL1811062 0.83 CNR1 (0.51) RBP4CNR1EPHX2FPR2PROKR1
SCHEMBL31632588 0.81 HRH3 (0.49) RBP4DRD2HTR2AMMP2MMP9
SCHEMBL31632581 0.81 HRH3 (0.49) RBP4DRD2HTR2AMMP2MMP9
SCHEMBL1809070 0.81 CNR1 (0.49) CNR1EPHX2KCNH2FPR2PROKR1
SCHEMBL1811335 0.80 TPSAB1 (0.51) DRD2EPHX2KDM1A
SCHEMBL1807881 0.80 RBP4 (0.53) RBP4CNR1EPHX2KCNH2
SCHEMBL27249716 0.79 RBP4 (0.65) RBP4DRD2HTR2AKCNH2MMP2
SCHEMBL31632575 0.79 RBP4 (0.46) RBP4DRD2HTR2AMMP2MMP9

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 4761/4885CNR1 149/4885DRD2 1668/4885

“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.