SCHEMBL4051271

SCHEMBL4051271

CC(N)c1nnn(-c2cccc(Cl)c2)n1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.48
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 1/20 0.47
PKM P14618 1/20 0.44
NOTUM Q6P988 2/20 0.40
PNMT P11086 1/20 0.39
IDO1 P14902 1/20 0.39
TDO2 P48775 1/20 0.39
CASR P41180 1/20 0.38

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
SCHEMBL14363428 1.00 GRM5 (0.48) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL2893177 0.87 GRM5 (0.47) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL2895174 0.87 GRM5 (0.47) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL2893471 0.87 GRM5 (0.47) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL2893451 0.87 GRM5 (0.47) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL27770576 0.84 PKM (0.48) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL27770577 0.84 GRM5 (0.46) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL5491722 0.82 GRM5 (0.45) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL3113748 0.80 GRM5 (0.50) GRM5MEN1NPC1ALDH1A1LMNA
SCHEMBL2893766 0.80 GRM5 (0.50) GRM5MEN1NPC1ALDH1A1LMNA

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
EP-2027129-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS AstraZeneca AB (SE) 2009-02-25 EP claimed
WO-2007130824-A2 FUSED HETEROCYLIC COMPOUNDS AND THEIR USE AS MGLUR5 MODULATORS ASTRAZENECA AB (SE) 2007-11-15 WO claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US claimed
US-20070259860-A1 MGluR5 modulators V ASTRAZENECA AB (SE) 2007-11-08 US 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-20070259860-A1 MGluR5 modulators V GRM5, GRIK5, GRM2 GRM5 1/4885MEN1 4264/4885NPC1 934/4885

“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.