SCHEMBL15033938

SCHEMBL15033938

COc1ccc(-c2cn(-c3ccccc3)c(CC(=O)N3CCc4nc(C)sc4CC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.49
POLB P06746 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
MAPT P10636 5/20 0.39
LMNA P02545 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 2/20 0.38
MEN1 O00255 2/20 0.38
HPGD P15428 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 2/20 0.38
TP53 P04637 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38

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
SCHEMBL15033951 0.92 GRM5 (0.46) GRM5POLBL3MBTL1SMN1; SMN2MAPT
SCHEMBL15033937 0.91 GRM5 (0.49) GRM5POLBL3MBTL1GABRA2GABRB2
SCHEMBL15021049 0.85 GRM5 (0.51) GRM5L3MBTL1SMN1; SMN2MEN1HPGD
SCHEMBL15033997 0.85 GRM5 (0.69) GRM5NPC1RAB9AALDH1A1
SCHEMBL15033970 0.84 GRM5 (0.49) GRM5POLBL3MBTL1SMN1; SMN2MAPT
SCHEMBL15033976 0.83 GRM5 (0.49) GRM5L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL15033949 0.83 GRM5 (0.46) GRM5POLBL3MBTL1SMN1; SMN2MAPT
SCHEMBL15033971 0.81 GRM5 (0.43) GRM5POLBL3MBTL1GABRA2GABRB2
SCHEMBL15033993 0.80 GRM5 (0.51) GRM5L3MBTL1SMN1; SMN2MAPTLMNA
SCHEMBL15033931 0.78 GRM5 (0.62) GRM5L3MBTL1

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-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-8716277-B2 Substituted imidazole compounds useful as positive allosteric modulators of mGlu5 receptor activity BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-06 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 US disclosed
US-20130158011-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 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-20130158011-A1 NOVEL COMPOUNDS GRM5, GRM1, GRIK5 GRM5 1/4885POLB 3617/4885L3MBTL1 3183/4885

“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.