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SCHEMBL5450853

SCHEMBL5450853

COc1ccccc1-c1nc(C(=O)N(C)OC)cn1-c1ccc(C)cc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 5/20 0.51
▸ PTGS2 P35354 1/20 0.46
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ GABRA2 P47869 4/20 0.42
▸ GABRB2 P47870 4/20 0.42
▸ CCKAR P32238 2/20 0.40
▸ HTT P42858 1/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ UGCG Q16739 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ TRPM8 Q7Z2W7 1/20 0.36

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 0.85 CNR1 (0.55) CNR1PTGS2CYP3A4CYP2C19GABRA2
SCHEMBL5445432 0.81 GABRA2 (0.66) CNR1PTGS2CYP3A4CYP2C19GABRA2
SCHEMBL6342475 0.80 CNR1 (0.67) CNR1GABRA2GABRB2
SCHEMBL5440906 0.79 CNR1 (0.50) CNR1PTGS2CYP3A4CYP2C19GABRA2
SCHEMBL5450849 0.78 CNR1 (0.56) CNR1PTGS2CYP3A4CYP2C19GABRA2
SCHEMBL19890226 0.77 GABRA2 (0.61) CNR1PTGS2GABRA2GABRB2CCKAR
SCHEMBL14339087 0.77 CNR1 (0.57) CNR1PTGS2CYP3A4CYP2C19GABRA2
SCHEMBL5449238 0.74 PTGS2 (0.48) CNR1PTGS2CYP3A4CYP2C19HTT
SCHEMBL5370041 0.73 CNR1 (0.56) CNR1GABRA2GABRB2
SCHEMBL5816285 0.73 CNR1 (0.48) CNR1PTGS2GABRA2GABRB2CCKAR

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 8 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
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 293/4885PTGS2 1158/4885CYP3A4 4085/4885
US-20070191448-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 CNR1 293/4885PTGS2 1158/4885CYP3A4 4085/4885

“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.