SCHEMBL5440906

SCHEMBL5440906

COc1ccc(C(=O)c2cn(-c3ccc(C)cc3)c(-c3ccccc3OC)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.50
CCKAR P32238 2/20 0.48
GABRA2 P47869 2/20 0.47
GABRB2 P47870 2/20 0.47
PTGS2 P35354 1/20 0.45
PDE5A O76074 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C19 P33261 1/20 0.42
AVPR2 P30518 1/20 0.40
OXTR P30559 1/20 0.40
AVPR1A P37288 1/20 0.40
GRM1 Q13255 1/20 0.40
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 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 0.84 CNR1 (0.55) CNR1CCKARGABRA2GABRB2PTGS2
SCHEMBL5445432 0.80 GABRA2 (0.66) CNR1GABRA2GABRB2PTGS2CYP3A4
SCHEMBL5450853 0.79 CNR1 (0.51) CNR1CCKARGABRA2GABRB2PTGS2
SCHEMBL5447115 0.78 RAB9A (0.51) CNR1CCKARPTGS2AVPR2OXTR
SCHEMBL5450849 0.77 CNR1 (0.56) CNR1GABRA2GABRB2PTGS2CYP3A4
SCHEMBL14339087 0.76 CNR1 (0.57) CNR1GABRA2GABRB2PTGS2CYP3A4
SCHEMBL5449238 0.73 PTGS2 (0.48) CNR1PTGS2CYP3A4CYP2C19CA1
SCHEMBL5816285 0.72 CNR1 (0.48) CNR1CCKARGABRA2GABRB2PTGS2
SCHEMBL6688666 0.72 GABRA2 (0.59) CNR1GABRA2GABRB2
SCHEMBL15151734 0.71 GABRA2 (0.46) CCKARGABRA2GABRB2ADORA3ADORA1

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-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
US-20070281937-A1 Ion Channel Modulators SCION PHARMACEUTICALS, INC. 2007-12-06 US disclosed
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
US-20070191448-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-16 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
EP-1723117-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
WO-2005086836-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 293/4885CCKAR 1076/4885GABRA2 267/4885
US-20070191448-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 CNR1 293/4885CCKAR 1076/4885GABRA2 267/4885

“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.