SCHEMBL4648722

SCHEMBL4648722

CC(C)c1cc(Cl)ncc1C=O

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB1 P18505 1/20 0.31
ERN1 O75460 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
MPI P34949 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL23970881 0.78 GABRA1 (0.39) LMNAGABRA1GABRB1SMN1; SMN2ALDH1A1
SCHEMBL4281076 0.75 KAT2B (0.38) CYP1A2CYP3A4CYP2D6CYP2C19ERN1
SCHEMBL29847647 0.75 KAT2B (0.38) CYP1A2CYP3A4CYP2D6CYP2C19ERN1
SCHEMBL7996324 0.75 CYP3A4 (0.42) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL15332623 0.75 ERN1 (0.41) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL29411195 0.74 TDP1 (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL2737360 0.74 GABRA1 (0.37) LMNAGABRA1GABRB1SMN1; SMN2
SCHEMBL899188 0.74 TDP1 (0.45) LMNACYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL5708632 0.74 P2RX3 (0.31)
SCHEMBL18353218 0.73 GABRA1 (0.39) LMNAGABRA1GABRB1SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
EP-1718613-B1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2008-09-03 EP disclosed
EP-1718613-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-11-08 EP disclosed
WO-2005080342-A1 PYRIDINE DERIVATIVES AND THEIR USE AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-09-01 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 (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-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators CNR2, CNR1, TRPV1 TYR 1812/4885LMNA 4046/4885CYP1A2 306/4885

“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.