SCHEMBL1809201

SCHEMBL1809201

O=C(c1cnn2cccnc12)N1CCC(Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
IRAK4 Q9NWZ3 11/20 0.52
SYK P43405 3/20 0.52
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.50
JAK2 O60674 2/20 0.48
JAK1 P23458 2/20 0.48
TYK2 P29597 2/20 0.48
JAK3 P52333 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
PIK3CD O00329 1/20 0.47
PIK3CA P42336 1/20 0.47
IRAK1 P51617 1/20 0.47
HSD17B10 Q99714 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
SCHEMBL1806765 0.82 KDM4E (0.52) KDM4EIRAK4SYKGAANPSR1
SCHEMBL1809525 0.79 HTR2A (0.51) HTR2AHTR2C
SCHEMBL4210793 0.78 KDM4E (0.61) KDM4EIRAK4SYKGAANPSR1
SCHEMBL1809343 0.78 MEN1 (0.55) KDM4E
SCHEMBL1809894 0.78 HTR2A (0.48) HTR2AHTR2C
SCHEMBL1809963 0.78 POLB (0.56)
SCHEMBL1806222 0.77 POLB (0.46)
SCHEMBL1806936 0.76 CNR1 (0.48)
SCHEMBL1809331 0.76 RBP4 (0.60) KDM4E
SCHEMBL1807921 0.76 CHRM2 (0.58) HTR2AHTR2C

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 1141/4885IRAK4 2710/4885SYK 2703/4885

“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.