SCHEMBL5454408

SCHEMBL5454408

CC(C)c1cc(Nc2ccc(Cl)cc2F)ncc1C(=O)NCc1ccc(F)cc1

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 12/20 0.74
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2D6 P10635 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 2/20 0.54
NUDT1 P36639 2/20 0.46
TGFBR1 P36897 2/20 0.43
ACVRL1 P37023 2/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TP53 P04637 1/20 0.42
ACVR1B P36896 1/20 0.42
PTGER4 P35408 2/20 0.42
PTGER2 P43116 1/20 0.42

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
SCHEMBL5452639 0.93 CNR2 (0.75) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5451232 0.93 CNR2 (0.74) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5455663 0.91 CNR2 (0.71) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5481387 0.91 CNR2 (0.74) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5458961 0.89 CNR2 (0.63) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5453086 0.89 CNR2 (0.70) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5452592 0.85 CNR2 (0.66) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5078904 0.85 CNR2 (1.00) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5079072 0.85 CNR2 (0.80) CNR2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5457305 0.84 CNR2 (0.73) CNR2CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 EP claimed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
US-20070129367-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2007-06-07 US disclosed
EP-1562907-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2006-11-15 EP 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-20070129367-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 CNR2 1/4885CYP1A2 793/4885CYP3A4 1047/4885

“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.