SCHEMBL1808423

SCHEMBL1808423

CCOc1ncccc1C(=O)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.65
KMT2A Q03164 4/20 0.59
NPC1 O15118 3/20 0.59
MEN1 O00255 3/20 0.59
MAPT P10636 2/20 0.59
ALDH1A1 P00352 1/20 0.58
MAPK1 P28482 2/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP2C19 P33261 1/20 0.52
TSHR P16473 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.50
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HCRTR1 O43613 3/20 0.48
HCRTR2 O43614 3/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL1809257 0.85 POLB (0.65) POLBKDM4E
SCHEMBL1809963 0.85 POLB (0.56) POLBALDH1A1CYP2C19
SCHEMBL1807921 0.81 CHRM2 (0.58) POLBALDH1A1CYP2C19HCRTR1HCRTR2
SCHEMBL1809758 0.80 CHRM2 (0.58) POLBALDH1A1HCRTR2
SCHEMBL1805893 0.79 EPHX2 (0.47) POLBKMT2AMEN1
SCHEMBL1810366 0.78 HRH1 (0.51) POLBALDH1A1
SCHEMBL1810699 0.78 CNR1 (0.48) POLBKMT2AALDH1A1
SCHEMBL1806222 0.78 POLB (0.46) POLBALDH1A1CYP2C19
SCHEMBL1807280 0.78 HCRTR1 (0.49) POLBKMT2AALDH1A1HCRTR1HCRTR2
SCHEMBL1808780 0.77 KCNK3 (0.53) POLBKMT2A

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 POLB 4291/4885KMT2A 1032/4885NPC1 1433/4885

“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.