SCHEMBL4648511

SCHEMBL4648511

CC(C)c1cc(Cl)ncc1CO

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDXK O00764 1/20 0.38
RECQL P46063 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRB1 P18505 1/20 0.35
DHFR P00374 1/20 0.35
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
P2RX3 P56373 1/20 0.33
P2RX2 Q9UBL9 1/20 0.33
ACE2 Q9BYF1 1/20 0.33
LMNA P02545 3/20 0.33
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31

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
SCHEMBL5708643 0.86 DHFR (0.33) RECQLGABRA1GABRB1DHFRP2RX3
SCHEMBL23970881 0.78 GABRA1 (0.39) GABRA1GABRB1GABRG2GABRB3ALDH1A1
SCHEMBL5708632 0.77 P2RX3 (0.31) DHFRP2RX3P2RX2
SCHEMBL4649636 0.76 PDCD1LG2 (0.35) DHFRKDM4EALDH1A1HPGDP2RX3
SCHEMBL29416192 0.76 PDXK (0.45) PDXKRECQLGABRA1GABRB1GABRG2
SCHEMBL903476 0.76 PDXK (0.45) PDXKRECQLGABRA1GABRB1GABRG2
SCHEMBL15539147 0.75 PDXK (0.41) PDXKRECQLKDM4EALDH1A1HPGD
SCHEMBL4648719 0.75 GABRA1 (0.39) GABRA1GABRB1LMNA
SCHEMBL2737360 0.74 GABRA1 (0.37) GABRA1GABRB1P2RX3P2RX2LMNA
SCHEMBL992612 0.74 PDXK (0.44) PDXKRECQLGABRA1GABRB1GABRG2

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 PDXK 1280/4885RECQL 4142/4885GABRA1 138/4885

“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.