SCHEMBL5079739

SCHEMBL5079739

CC(C)c1cc(Cl)ncc1C(=O)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSP90AA1 P07900 3/20 0.56
▸ HSP90AB1 P08238 2/20 0.56
▸ LMNA P02545 1/20 0.49
▸ HTT P42858 2/20 0.48
▸ TSHR P16473 2/20 0.48
▸ MAPT P10636 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA3 P07451 1/20 0.45
▸ CA4 P22748 1/20 0.45
▸ CA6 P23280 1/20 0.45
▸ CA5A P35218 1/20 0.45
▸ CA7 P43166 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA13 Q8N1Q1 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ CA5B Q9Y2D0 1/20 0.45
▸ MAPK1 P28482 2/20 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
SCHEMBL17796530 0.82 HPGD (0.56) HSP90AA1LMNAHTTTSHRMAPT
SCHEMBL19657118 0.79 MAPT (0.55) HSP90AA1HSP90AB1LMNAHTTTSHR
SCHEMBL5212172 0.77 CNR2 (0.68) LMNAHTTMAPTKDM4ESMN1; SMN2
SCHEMBL19651830 0.75 HSP90AA1 (0.51) HSP90AA1HSP90AB1LMNAHTTTSHR
SCHEMBL13184376 0.74 HSP90AA1 (0.54) HSP90AA1HSP90AB1HTTTSHRMAPT
SCHEMBL19657114 0.74 MAPT (0.58) HSP90AA1LMNAHTTTSHRMAPT
SCHEMBL4649771 0.74 GABRA1 (0.40) LMNATSHRMAPTKDM4ESMN1; SMN2
SCHEMBL4649720 0.74 CNR2 (0.37) TSHRKDM4EMAPK1SMN1; SMN2GAA
SCHEMBL18930366 0.73 HSP90AA1 (0.62) HSP90AA1HSP90AB1TSHRSMN1; SMN2GAA
SCHEMBL5215435 0.73 CNR2 (0.53) KDM4ERAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1565442-B1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LTD (GB) 2007-11-14 — — 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
US-20060240048-A1 Pyridine derivatives as cb2 receptor modulators GLAXO GROUP LIMITED (GB) 2006-10-26 — — US disclosed
EP-1565442-A1 PYRIDINE DERIVATIVES AS CB2 RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-24 — — EP 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 (2 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-20060240048-A1 Pyridine derivatives as cb2 receptor modulators CNR2, CNR1, TRPV1 HSP90AA1 2579/4885HSP90AB1 2278/4885LMNA 3910/4885
US-20080132505-A1 Combination Of Cb2 Modulators And Pde4 Inhibitors For Use In Medicine CNR2, CNR1, PDE4A HSP90AA1 2460/4885HSP90AB1 1885/4885LMNA 3605/4885

“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.

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