SCHEMBL4648719

SCHEMBL4648719

CC(C)c1cc(Cl)ncc1C(C)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
LMNA P02545 2/20 0.34
PDE2A O00408 1/20 0.34
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
GABRB2 P47870 1/20 0.30
CYP3A4 P08684 2/20 0.30
CYP2D6 P10635 2/20 0.30
SLC6A2 P23975 2/20 0.30
SLC6A4 P31645 2/20 0.30
SLC6A3 Q01959 2/20 0.30
KCNH2 Q12809 1/20 0.30
SMN1; SMN2 Q16637 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 0.87 GABRA1 (0.39) GABRA1GABRB1LMNACA1CA2
SCHEMBL31518732 0.81 PDE2A (0.43) GABRA1GABRB1LMNAPDE2ASMN1; SMN2
SCHEMBL16879556 0.81 PDE2A (0.43) GABRA1GABRB1LMNAPDE2ASMN1; SMN2
SCHEMBL23751055 0.80 PDE2A (0.33) PDE2A
SCHEMBL9938096 0.80 PDE2A (0.33) PDE2A
SCHEMBL24122426 0.79 ALDH1A1 (0.35) GABRA1GABRB1LMNAPDE2ASMN1; SMN2
SCHEMBL2737360 0.78 GABRA1 (0.37) GABRA1GABRB1LMNACA1CA2
SCHEMBL18353218 0.78 GABRA1 (0.39) GABRA1GABRB1LMNAPDE2ACA1
SCHEMBL593900 0.78 PDE2A (0.33) PDE2A
SCHEMBL2738317 0.77 LMNA (0.40) GABRA1GABRB1LMNASMN1; SMN2

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 6 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-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 GABRA1 138/4885GABRB1 197/4885LMNA 4046/4885

“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.