SCHEMBL1806765

SCHEMBL1806765

CCOc1cccc(OC2CCN(C(=O)c3cnn4cccnc34)CC2)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
HSD17B10 Q99714 3/20 0.52
GAA P10253 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
PIK3CD O00329 2/20 0.48
PIK3CA P42336 1/20 0.48
IRAK4 Q9NWZ3 9/20 0.47
SYK P43405 4/20 0.47
IRAK1 P51617 1/20 0.47
POLB P06746 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
ALDH1A1 P00352 2/20 0.46
LMNA P02545 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL1809201 0.82 KDM4E (0.53) KDM4EHSD17B10GAANPSR1PIK3CD
SCHEMBL1808097 0.79 CHRM2 (0.53) KDM4EPOLBHTR2AHTR2CALDH1A1
SCHEMBL1806953 0.77 HRH1 (0.46) KDM4EHSD17B10ALDH1A1HPGD
SCHEMBL4210793 0.76 KDM4E (0.61) KDM4EHSD17B10GAANPSR1PIK3CD
SCHEMBL1811149 0.76 GRM5 (0.41) KDM4EALDH1A1
SCHEMBL1808679 0.74 RECQL (0.45) KDM4EPOLB
SCHEMBL1810350 0.74 LMNA (0.47) POLBLMNA
SCHEMBL1807504 0.74 HRH3 (0.50) KDM4EALDH1A1LMNA
SCHEMBL1809610 0.74 DRD2 (0.60) SYK
SCHEMBL1807181 0.72 POLB (0.43) GAAPOLB

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 KDM4E 1141/4885HSD17B10 3409/4885GAA 1906/4885

“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.