SCHEMBL1808905

SCHEMBL1808905

Cn1cc(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)c(=O)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.45
HRH1 P35367 2/20 0.44
CCR3 P51677 2/20 0.44
MAOB P27338 2/20 0.44
GFER P55789 1/20 0.44
TPSAB1 Q15661 1/20 0.44
TP53 P04637 1/20 0.42
MGLL Q99685 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ATM Q13315 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CNR1 P21554 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL1811335 0.93 TPSAB1 (0.51) EPHX2HRH1CCR3GFERTPSAB1
SCHEMBL1807927 0.84 EPHX2 (0.47) EPHX2HRH1CCR3TPSAB1TP53
SCHEMBL1807267 0.82 CNR1 (0.46) EPHX2HRH1CCR3TP53CNR1
SCHEMBL1809211 0.82 EPHX2 (0.47) EPHX2HRH1CCR3TPSAB1CNR1
SCHEMBL1807208 0.82 PSEN1 (0.49) EPHX2GFERTP53MGLL
SCHEMBL1812471 0.82 ADORA1 (0.52) EPHX2HRH1CCR3SMN1; SMN2ALDH1A1
SCHEMBL1808664 0.81 MGLL (0.47) EPHX2HRH1CCR3MGLLCNR1
SCHEMBL1810470 0.81 PSEN1 (0.51) EPHX2HRH1CCR3GFERCNR1
SCHEMBL1806283 0.80 CNR1 (0.46) EPHX2HRH1CCR3MGLLCNR1
SCHEMBL1812133 0.80 PSEN1 (0.56) EPHX2GFERTP53MGLLCNR1

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 2869/4885HRH1 819/4885CCR3 2942/4885

“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.