SCHEMBL3110795

SCHEMBL3110795

Cc1cccc(-n2nnc([C@@H](C)Sc3nnc(-c4cc[nH]c(=O)c4)n3C)n2)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.59
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 8/20 0.37
DRD3 P35462 8/20 0.37
LMNA P02545 1/20 0.36
KCNH2 Q12809 2/20 0.36
ALDH1A1 P00352 2/20 0.35
TP53 P04637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KMT2A Q03164 1/20 0.35
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
DRD4 P21917 1/20 0.34
RXFP1 Q9HBX9 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
SCHEMBL3110804 1.00 GRM5 (0.59) GRM5NPSR1DRD2DRD3LMNA
SCHEMBL3104153 0.87 GRM5 (0.70) GRM5NPSR1DRD2LMNAALDH1A1
SCHEMBL3104165 0.87 GRM5 (0.70) GRM5NPSR1DRD2LMNAALDH1A1
SCHEMBL3110972 0.84 GRM5 (0.47) GRM5NPSR1DRD2DRD3LMNA
SCHEMBL3110978 0.84 GRM5 (0.47) GRM5NPSR1DRD2DRD3LMNA
SCHEMBL2889757 0.84 GRM5 (0.46) GRM5LMNAALDH1A1L3MBTL1KMT2A
SCHEMBL2895011 0.80 ALOX12 (0.48) GRM5NPSR1DRD2DRD3LMNA
SCHEMBL3106160 0.79 GRM5 (0.70) GRM5NPSR1ALDH1A1KMT2A
SCHEMBL3106141 0.79 GRM5 (0.70) GRM5NPSR1ALDH1A1KMT2A
SCHEMBL3721766 0.79 GRM5 (0.48) GRM5NPSR1DRD2DRD3LMNA

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
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US claimed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
US-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 ASTRAZENECA AB (SE) 2010-10-28 US disclosed
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 WO disclosed
WO-2010123451-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 ASTRAZENECA AB (SE) 2010-10-28 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-20100273805-A1 SULPHIDE BRIDGED DERIVATIVES AS MODULATORS OF MGLUR5 733 GRM5, GRM3, GRIK5 GRM5 1/4885NPSR1 189/4885DRD2 188/4885

“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.