SCHEMBL2917638

SCHEMBL2917638

CC(c1cc(-c2cccc(Cl)c2)on1)N(C)c1nnc(-c2ccn(C)c(=O)c2)n1C

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.68
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 3/20 0.36
MAPK1 P28482 2/20 0.35
KCNH2 Q12809 1/20 0.35
MAOB P27338 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
SCHEMBL4089356 0.92 GRM5 (0.56) GRM5ALDH1A1
SCHEMBL2959556 0.81 GRM5 (1.00) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL2967887 0.81 GRM5 (1.00) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL2921592 0.80 GRM5 (0.58) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL4089323 0.79 GRM5 (0.49) GRM5ALDH1A1
SCHEMBL2921700 0.76 GRM5 (0.57) GRM5ALDH1A1MAOB
SCHEMBL8226908 0.75 GRM5 (0.47) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL2920291 0.75 GRM5 (0.68) GRM5
SCHEMBL5485025 0.75 GRM5 (0.61) GRM5NPC1RAB9AALDH1A1TP53
SCHEMBL3109950 0.72 GRM5 (0.57) GRM5ALDH1A1TP53KCNH2

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.