SCHEMBL5448657

SCHEMBL5448657

O=C(NCc1ccc(F)cc1)c1cnc(Nc2cccc(Br)c2)cc1C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 18/20 1.00
CYP1A2 P05177 3/20 0.54
CYP2C9 P11712 3/20 0.54
CYP2C19 P33261 3/20 0.54
CYP2D6 P10635 2/20 0.54
CYP3A4 P08684 1/20 0.54
POLB P06746 1/20 0.47
GLA P06280 1/20 0.45

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
SCHEMBL5452949 0.91 CNR2 (0.84) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5459863 0.89 CNR2 (0.81) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5488182 0.88 CNR2 (0.78) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5444398 0.84 CNR2 (0.80) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5787298 0.83 CNR2 (0.72) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5787099 0.83 CNR2 (0.71) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5457565 0.83 CNR2 (0.70) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5212199 0.82 CNR2 (0.70) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5080765 0.82 CNR2 (0.86) CNR2CYP1A2CYP2C9CYP2C19CYP2D6
SCHEMBL5215465 0.82 CNR2 (0.72) CNR2CYP1A2CYP2C9CYP2C19CYP2D6

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 3 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
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 793/4885CYP2C9 1323/4885

“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.