SCHEMBL4097309

SCHEMBL4097309

CC(c1cc(-c2cccc(Cl)c2)on1)N(c1nnc(-c2cn[nH]c(=O)c2)n1C)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.64
SMN1; SMN2 Q16637 1/20 0.36
NPC1 O15118 5/20 0.35
RAB9A P51151 5/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 1/20 0.33
CSF1R P07333 1/20 0.33
TP53 P04637 1/20 0.33
THRB P10828 1/20 0.33
KCNH2 Q12809 1/20 0.32

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
SCHEMBL4090451 0.83 GRM5 (0.57) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2920291 0.79 GRM5 (0.68) GRM5MAPTCSF1R
SCHEMBL2962057 0.78 GRM5 (1.00) GRM5NPC1RAB9AALDH1A1MAPT
SCHEMBL2959324 0.78 GRM5 (1.00) GRM5NPC1RAB9AALDH1A1MAPT
SCHEMBL2924692 0.78 GRM5 (0.58) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4193512 0.78 GRM5 (0.60) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14363432 0.73 GRM5 (0.60) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL4232390 0.73 GRM5 (0.60) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2896795 0.73 GRM5 (0.56) GRM5SMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL2896791 0.73 GRM5 (0.56) GRM5SMN1; SMN2NPC1RAB9AALDH1A1

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-20090111821-A1 AMINO 1,2,4-TRIAZOLE DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2009-04-30 US 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

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 1/4885SMN1; SMN2 1719/4885NPC1 1878/4885

“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.