SCHEMBL2913730

SCHEMBL2913730

CCN(Cc1cc(-c2cccc(Cl)c2)on1)c1nnc(-c2cc[nH]c(=O)c2)n1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.57
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
ALDH1A1 P00352 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
ADORA2B P29275 1/20 0.37
ADORA1 P30542 1/20 0.37
MAPK1 P28482 1/20 0.36
TP53 P04637 2/20 0.36
HSD11B1 P28845 1/20 0.35
THRB P10828 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2921956 0.92 GRM5 (0.47) GRM5ALDH1A1
SCHEMBL2924692 0.87 GRM5 (0.58) GRM5NPC1RAB9AALDH1A1ADORA3
SCHEMBL2921592 0.86 GRM5 (0.58) GRM5NPC1RAB9AALDH1A1ADORA3
SCHEMBL2966743 0.81 GRM5 (0.71) GRM5NPC1RAB9AALDH1A1ADORA3
SCHEMBL2916685 0.80 GRM5 (0.57) GRM5ALDH1A1MAPK1
SCHEMBL2919979 0.78 GRM5 (0.47) GRM5ALDH1A1
SCHEMBL4090451 0.74 GRM5 (0.57) GRM5NPC1RAB9AALDH1A1ADORA3
SCHEMBL2967216 0.73 GRM5 (1.00) GRM5NPC1RAB9AALDH1A1MAPK1
SCHEMBL2966335 0.73 GRM5 (1.00) GRM5NPC1RAB9AALDH1A1MAPK1
SCHEMBL1544945 0.73 KCNH2 (0.45) GRM5NPC1RAB9AALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2212316-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 AstraZeneca AB (SE) 2010-08-04 EP claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US claimed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 WO claimed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
US-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US disclosed
WO-2009054794-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 GRM5, GRIK5, GRM1 GRM5 1/4885NPC1 1878/4885RAB9A 1234/4885

“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.