SCHEMBL4649045

SCHEMBL4649045

O=C(O)c1ccc(Cl)nc1C1CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.41
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
SLC6A12 P48065 1/20 0.39
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
SORT1 Q99523 1/20 0.38
GABRP O00591 2/20 0.37
GABRD O14764 2/20 0.37
GABRA1 P14867 2/20 0.37
GABRB1 P18505 2/20 0.37
GABRG2 P18507 2/20 0.37
GABRB3 P28472 2/20 0.37
GABRA5 P31644 2/20 0.37
GABRA3 P34903 2/20 0.37
GABRA2 P47869 2/20 0.37
GABRB2 P47870 2/20 0.37
GABRA4 P48169 2/20 0.37
GABRE P78334 2/20 0.37
GABRA6 Q16445 2/20 0.37

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
SCHEMBL2008152 0.86 SLC6A12 (0.36) POLBSLC6A12FABP4FABP5LMNA
SCHEMBL18921611 0.80 HCRTR1 (0.38) KEAP1NFE2L2SLC6A12FABP4FABP5
SCHEMBL4650346 0.80 TUBB4A (0.47) POLBSLC6A12LMNASMN1; SMN2CYP1A2
Nitrous Acid SCHEMBL28169420 0.77 GABRP (0.47) POLBKEAP1NFE2L2GABRPGABRD
SCHEMBL1969860 0.76 KMT2A (0.53) SLC6A12LMNAHTTSMN1; SMN2CYP1A2
SCHEMBL28087809 0.74 DHODH (0.39) POLBKEAP1NFE2L2FABP4FABP5
SCHEMBL1969832 0.74 HSD11B1 (0.57) LMNAHTTALDH1A1KMT2A
SCHEMBL56617 0.72 SMN1; SMN2 (0.50) POLBKEAP1NFE2L2SLC6A12SORT1
SCHEMBL29378242 0.72 SMN1; SMN2 (0.50) POLBKEAP1NFE2L2SLC6A12SORT1
SCHEMBL28187406 0.72 KDM4E (0.41) POLBHTTSMN1; SMN2CYP1A2TDP1

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 12 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
EP-1735301-A1 PYRIDINE DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2006-12-27 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
WO-2005075464-A1 PYRIDINE DERIVATIVES AS CONNABINOID RECEPTOR MODULATORS GLAXO GROUP LIMITED (GB) 2005-08-18 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-20080280868-A1 Pyridine Derivatives and Their Use as Cb2 Receptor Modulators CNR2, CNR1, TRPV1 POLB 4348/4885KEAP1 1910/4885NFE2L2 970/4885
US-20080280952-A1 Pyridine Derivatives as Connabinoid Receptor Modulators CNR1, CNR2, P2RY1 POLB 4047/4885KEAP1 1340/4885NFE2L2 1506/4885

“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.