SCHEMBL4648730

SCHEMBL4648730

O=C(NCC1CCCC1)c1ccc(Cl)nc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 2/20 0.58
L3MBTL1 Q9Y468 1/20 0.55
MLYCD O95822 1/20 0.53
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CA2 P00918 1/20 0.52
MMP13 P45452 1/20 0.50
CACNA1B Q00975 1/20 0.50
APBA1 Q02410 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
NAMPT P43490 1/20 0.48
ROCK2 O75116 1/20 0.48
ALDH1A1 P00352 1/20 0.48

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
SCHEMBL3412142 0.99 HDAC6 (0.60) HDAC6L3MBTL1MLYCDNPC1RAB9A
SCHEMBL3404706 0.97 HDAC6 (0.55) HDAC6L3MBTL1MLYCDNPC1RAB9A
SCHEMBL3409240 0.94 L3MBTL1 (0.57) HDAC6L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4007129 0.90 L3MBTL1 (0.53) HDAC6L3MBTL1NPC1RAB9ASMN1; SMN2
SCHEMBL4648466 0.88 EGLN1 (0.52) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL26671766 0.84 HDAC6 (0.55) HDAC6MLYCDNPC1RAB9ASMN1; SMN2
SCHEMBL14380976 0.83 HDAC6 (0.46) HDAC6L3MBTL1MLYCDNPC1RAB9A
SCHEMBL5433116 0.83 MMP13 (0.56) HDAC6MLYCDCA2MMP13MEN1
SCHEMBL8257974 0.83 SMYD3 (0.53) L3MBTL1CACNA1BAPBA1NAMPT
SCHEMBL4006524 0.82 MAPK14 (0.49) HDAC6L3MBTL1NPC1RAB9ASMN1; 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 18 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
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators GLAXO GROUP LIMITED (GB) 2008-11-13 US disclosed
US-20080280952-A1 Pyridine Derivatives as Connabinoid 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
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine GLAXO GROUP LIMITED 2008-06-05 US disclosed
EP-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 EP disclosed
EP-1735301-A1 PYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-12-27 EP disclosed
EP-1732561-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2006-12-20 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
EP-1565442-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-24 EP disclosed
WO-2005075464-A1 PYRIDINE DERIVATIVES AS CONNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed
WO-2005074939-A1 COMBINATION OF CB2 MODULATORS AND PDE4 INHIBITORS FOR USE IN MEDICINE GLAXO GROUP LIMITED (GB) 2005-08-18 WO disclosed
WO-2004029026-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2004-04-08 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 (3 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 HDAC6 2223/4885L3MBTL1 4853/4885MLYCD 2776/4885
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators CNR1, CNR2, P2RY1 HDAC6 3383/4885L3MBTL1 4831/4885MLYCD 2850/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A HDAC6 639/4885L3MBTL1 4731/4885MLYCD 2823/4885

“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.