SCHEMBL1808097

SCHEMBL1808097

CCOc1cccc(OC2CCN(C(=O)c3cccc4cccnc34)CC2)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 2/20 0.53
HTR2A P28223 1/20 0.50
HTR2C P28335 1/20 0.50
CCR3 P51677 2/20 0.48
HCRTR1 O43613 1/20 0.46
HCRTR2 O43614 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
LMNA P02545 1/20 0.46
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 2/20 0.43
GRM4 Q14833 1/20 0.43
RECQL P46063 1/20 0.42
TSHR P16473 1/20 0.42
POLB P06746 1/20 0.42
NPC1 O15118 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
SCHEMBL1806501 0.90 CHRM2 (0.54) CHRM2HTR2AHTR2CCCR3HCRTR1
SCHEMBL1808277 0.89 CHRM2 (0.51) CHRM2HTR2AHTR2CCCR3HCRTR1
SCHEMBL1808405 0.87 HTR2A (0.52) CHRM2HTR2AHTR2CCCR3HCRTR1
SCHEMBL1807742 0.87 CHRM2 (0.55) CHRM2HTR2AHTR2CCCR3HCRTR1
SCHEMBL1811833 0.86 CHRM2 (0.58) CHRM2HTR2AHTR2CCCR3HCRTR1
SCHEMBL1809678 0.86 CHRM2 (0.53) CHRM2HTR2AHTR2CCCR3HCRTR1
SCHEMBL1811515 0.86 HTR2A (0.59) CHRM2HTR2AHTR2CCCR3HCRTR1
SCHEMBL1809184 0.85 CHRM2 (0.52) CHRM2HTR2AHTR2CCCR3HCRTR1
SCHEMBL1809610 0.82 DRD2 (0.60)
SCHEMBL1806953 0.82 HRH1 (0.46) CCR3MAPTKDM4ECYP2C19ALDH1A1

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 CHRM2 825/4885HTR2A 661/4885HTR2C 771/4885

“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.