SCHEMBL2919979

SCHEMBL2919979

CCN(Cc1cc(-c2cccc(C)c2)on1)c1nnc(-c2ccn(C)c(=O)c2)n1C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.47
HSD17B13 Q7Z5P4 1/20 0.39
SCD O00767 1/20 0.36
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GRIN2B Q13224 1/20 0.32
IL4I1 Q96RQ9 1/20 0.32
DRD2 P14416 3/20 0.32
DRD3 P35462 3/20 0.32
KCNH2 Q12809 2/20 0.32
HTR2C P28335 1/20 0.32
MAPK14 Q16539 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL2921592 0.92 GRM5 (0.58) GRM5HSD17B13SCDALDH1A1
SCHEMBL2921956 0.85 GRM5 (0.47) GRM5HSD17B13ALDH1A1LMNARXFP1
SCHEMBL2916685 0.84 GRM5 (0.57) GRM5HSD17B13ALDH1A1LMNAGRIN2B
SCHEMBL2916389 0.83 GRM5 (0.47) GRM5ALDH1A1HDAC6
SCHEMBL3730699 0.79 GRM5 (0.48) GRM5HSD17B13ALDH1A1LMNARXFP1
SCHEMBL4089356 0.79 GRM5 (0.56) GRM5HSD17B13SCDALDH1A1LMNA
SCHEMBL2913730 0.78 GRM5 (0.57) GRM5ALDH1A1
SCHEMBL2924692 0.76 GRM5 (0.58) GRM5ALDH1A1HDAC6
SCHEMBL3109955 0.72 GRM5 (0.57) GRM5SCDALDH1A1LMNARXFP1
SCHEMBL3109950 0.72 GRM5 (0.57) GRM5SCDALDH1A1LMNARXFP1

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 6 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

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 1/4885HSD17B13 3928/4885SCD 3235/4885

“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.