SCHEMBL1759564

SCHEMBL1759564

O=C[CH]c1cccc(Cl)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 1/20 0.54
CYP1A2 P05177 3/20 0.52
CYP2C9 P11712 1/20 0.52
FBP1 P09467 2/20 0.48
MAOB P27338 2/20 0.44
CHAT P28329 1/20 0.44
PIM1 P11309 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
GRIN2D O15399 2/20 0.43
GRIN3B O60391 2/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2A Q12879 2/20 0.43
GRIN2B Q13224 2/20 0.43
GRIN2C Q14957 2/20 0.43
GRIN3A Q8TCU5 2/20 0.43
RELA Q04206 1/20 0.43
MEN1 O00255 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL29672621 0.81
SCHEMBL40399 0.81
SCHEMBL1307669 0.78 CCNB2 (0.60) CHRM5CYP1A2CYP2C9FBP1MAOB
SCHEMBL1307668 0.78 CCNB2 (0.60) CHRM5CYP1A2CYP2C9FBP1MAOB
Ethane SCHEMBL2153770 0.77 CHRM5 (0.54) CHRM5CYP1A2CYP2C9FBP1MAOB
SCHEMBL3408298 0.77 CHRM5 (0.54) CHRM5CYP1A2CYP2C9FBP1MAOB
Benzaldehyde SCHEMBL20557183 0.76 ALDH1A1 (0.61) CHRM5CYP1A2CYP2C9FBP1MAOB
SCHEMBL699365 0.75 CHAT (0.67) CHRM5CYP1A2CYP2C9FBP1MAOB
SCHEMBL699364 0.75 CHAT (0.67) CHRM5CYP1A2CYP2C9FBP1MAOB
SCHEMBL3300271 0.75 CHRM5 (0.62) CHRM5CYP1A2CYP2C9FBP1MAOB

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-8765728-B2 [1,5]-diazocin derivatives MELLITECH (FR) 2014-07-01 US disclosed
EP-2501685-A1 [1,5]-DIAZOCIN DERIVATIVES Mellitech (FR) 2012-09-26 EP disclosed
US-20120225892-A1 [1,5]-Diazocin Derivatives MELLITECH (FR) 2012-09-06 US disclosed
WO-2011058193-A1 [1,5]-DIAZOCIN DERIVATIVES MELLITECH (FR) 2011-05-19 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-20120225892-A1 [1,5]-Diazocin Derivatives IAPP, INSR, GLP1R CHRM5 3253/4885CYP1A2 2743/4885CYP2C9 2937/4885

“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.