SCHEMBL5450849

SCHEMBL5450849

COCNC(=O)c1cn(-c2ccc(C)cc2)c(-c2ccccc2OC)n1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.56
CYP3A4 P08684 1/20 0.46
CYP2C19 P33261 1/20 0.46
PTGS2 P35354 1/20 0.44
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
NTSR1 P30989 2/20 0.42
ALDH1A1 P00352 3/20 0.42
HPGD P15428 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HSD17B10 Q99714 2/20 0.42
RAB9A P51151 1/20 0.42
CTSA P10619 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CNR2 P34972 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL5440875 0.83 CNR1 (0.55) CNR1CYP3A4CYP2C19PTGS2GABRA2
SCHEMBL5445432 0.81 GABRA2 (0.66) CNR1CYP3A4CYP2C19PTGS2GABRA2
SCHEMBL14339087 0.81 CNR1 (0.57) CNR1CYP3A4CYP2C19PTGS2GABRA2
SCHEMBL5450853 0.78 CNR1 (0.51) CNR1CYP3A4CYP2C19PTGS2GABRA2
SCHEMBL5440906 0.77 CNR1 (0.50) CNR1CYP3A4CYP2C19PTGS2GABRA2
SCHEMBL5449238 0.75 PTGS2 (0.48) CNR1CYP3A4CYP2C19PTGS2ALDH1A1
SCHEMBL5370038 0.74 CNR1 (0.62) CNR1GABRA2GABRB2CNR2
SCHEMBL5816285 0.71 CNR1 (0.48) CNR1PTGS2GABRA2GABRB2ALDH1A1
SCHEMBL5818847 0.70 GABRA2 (0.58) CNR1GABRA2GABRB2ALDH1A1HPGD
SCHEMBL5443076 0.70 CCNE1 (0.45) CNR1CYP3A4CYP2C19PTGS2ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070191448-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-16 US disclosed
EP-1722786-A2 ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2006-11-22 EP disclosed
WO-2005086902-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 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 (2 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-20070281937-A1 Ion Channel Modulators CACNA1B, CACNA1C, TRPV1 CNR1 293/4885CYP3A4 4085/4885CYP2C19 4481/4885
US-20070191448-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 CNR1 293/4885CYP3A4 4085/4885CYP2C19 4481/4885

“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.