SCHEMBL5450735

SCHEMBL5450735

COc1ccccc1-c1nc(CC(=O)N(C)c2ccc(F)cc2)cn1-c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPBAR1 Q8TDU6 4/20 0.48
CNR1 P21554 2/20 0.48
PTGS2 P35354 1/20 0.41
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL5444900 0.82 CNR1 (0.56) GPBAR1CNR1PTGS2TP53
SCHEMBL14339091 0.82 CNR1 (0.44) GPBAR1CNR1PTGS2TP53
SCHEMBL5174504 0.82 CNR1 (0.53) GPBAR1CNR1PTGS2LMNATP53
SCHEMBL5448796 0.74 CNR1 (0.50) CNR1PTGS2LMNANPSR1
SCHEMBL5443076 0.71 CCNE1 (0.45) CNR1PTGS2LMNATP53
SCHEMBL5449238 0.69 PTGS2 (0.48) CNR1PTGS2LMNANPSR1
SCHEMBL5171605 0.68 GAA (0.51) CNR1PTGS2LMNATP53
SCHEMBL2948208 0.68 PTGS2 (0.55) CNR1PTGS2
SCHEMBL5169418 0.68 KCNH2 (0.38) GPBAR1
SCHEMBL14339087 0.67 CNR1 (0.57) CNR1PTGS2TP53

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-20070197513-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-23 US disclosed
US-20070197513-A1 Ion channel modulators SCION PHARMACEUTICALS, INC. 2007-08-23 US disclosed
EP-1723119-A1 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-2005086836-A2 ION CHANNEL MODULATORS WYETH (US) 2005-09-22 WO disclosed
WO-2005087747-A1 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 GPBAR1 420/4885CNR1 293/4885PTGS2 1158/4885
US-20070197513-A1 Ion channel modulators CACNA1B, CACNA1C, TRPV1 GPBAR1 420/4885CNR1 293/4885PTGS2 1158/4885

“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.