SCHEMBL4529235

SCHEMBL4529235

COC(=O)C1CCC(c2nc(-c3ccncc3)no2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2D6 P10635 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
SMN1; SMN2 Q16637 4/20 0.57
LMNA P02545 3/20 0.57
TSHR P16473 2/20 0.57
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
EPHX2 P34913 1/20 0.49
KCNH2 Q12809 1/20 0.49
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA9 Q16790 1/20 0.47
GABRA1 P14867 1/20 0.47
GABRG2 P18507 1/20 0.47
GABRB3 P28472 1/20 0.47
GABRA3 P34903 1/20 0.47

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
SCHEMBL4529230 1.00 CYP1A2 (0.60) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL30584896 0.87 ALDH1A1 (0.58) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4529674 0.86 PPARA (0.65) SMN1; SMN2LMNAMAPTGAAEPHX2
SCHEMBL4529669 0.86 PPARA (0.65) SMN1; SMN2LMNAMAPTGAAEPHX2
SCHEMBL389721 0.85 GAA (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL389722 0.85 GAA (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4521239 0.85 CYP1A2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL4521230 0.85 CYP1A2 (0.66) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL389836 0.84 SMN1; SMN2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL389835 0.84 SMN1; SMN2 (0.57) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8207147-B2 Heterocyclic derivatives as GPCR receptor agonists PROSIDION LIMITED (GB) 2012-06-26 US disclosed
US-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2009-11-12 US disclosed
EP-1711491-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS Prosidion Limited (GB) 2006-10-18 EP disclosed
WO-2005061489-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS PROSIDION LIMITED (GB) 2005-07-07 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-20090281060-A1 HETEROCYCLIC DERIVATIVES AS GPCR RECEPTOR AGONISTS GPR119, GCGR, GLP1R CYP1A2 873/4885CYP3A4 1365/4885CYP2D6 1397/4885

“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.