SCHEMBL1807863

SCHEMBL1807863

Cn1c(C(=O)N2CCC(Oc3ccc(Cl)cc3)CC2)cc2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.54
DRD2 P14416 2/20 0.53
DRD3 P35462 2/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
EPHX2 P34913 3/20 0.47
F10 P00742 1/20 0.47
UTS2R Q9UKP6 1/20 0.45
KDM1A O60341 1/20 0.45
MCL1 Q07820 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2J2 P51589 1/20 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
SCHEMBL1808440 0.87 AHR (0.50) AHRDRD2DRD3MEN1KMT2A
SCHEMBL12188695 0.87 AHR (0.61) AHRMEN1KMT2AEPHX2KDM1A
SCHEMBL1808696 0.87 AHR (0.58) AHRDRD2DRD3MEN1KMT2A
SCHEMBL1808484 0.86 EPHX2 (0.45) AHREPHX2HRH3CYP2C9CYP2J2
SCHEMBL1810763 0.86 AHR (0.49) AHRMEN1KMT2AEPHX2KDM1A
SCHEMBL1809674 0.86 AHR (0.57) AHRMEN1KMT2AEPHX2KDM1A
SCHEMBL1807764 0.85 F10 (0.51) DRD2DRD3KMT2AEPHX2F10
SCHEMBL1810713 0.84 AHR (0.52) AHRDRD2DRD3MEN1KMT2A
SCHEMBL1810518 0.84 AHR (0.54) AHRMEN1KMT2AEPHX2HRH3
SCHEMBL1809775 0.84 AHR (0.54) AHRMEN1KMT2AEPHX2HRH3

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 AHR 340/4885DRD2 1668/4885DRD3 1700/4885

“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.