SCHEMBL15033937

SCHEMBL15033937

COc1ccc(-c2cn(-c3ccccc3)c(CC(=O)N3CCc4nc(N)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 0.40
L3MBTL1 Q9Y468 1/20 0.40
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
MAPT P10636 5/20 0.38
LMNA P02545 4/20 0.38
ALDH1A1 P00352 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MAPK1 P28482 2/20 0.38
MEN1 O00255 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
KDM4E B2RXH2 2/20 0.37
TP53 P04637 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL15033949 0.92 GRM5 (0.46) GRM5POLBL3MBTL1MAPTALDH1A1
SCHEMBL15033938 0.91 GRM5 (0.49) GRM5POLBL3MBTL1GABRA2GABRB2
SCHEMBL15033939 0.85 GRM5 (0.70) GRM5ALDH1A1NPC1RAB9A
SCHEMBL15033963 0.84 GRM5 (0.49) GRM5POLBL3MBTL1MAPTLMNA
SCHEMBL15033951 0.83 GRM5 (0.46) GRM5POLBL3MBTL1MAPTLMNA
SCHEMBL15033974 0.82 GRM5 (0.50) GRM5L3MBTL1MAPTALDH1A1SMN1; SMN2
SCHEMBL15033971 0.78 GRM5 (0.43) GRM5POLBL3MBTL1GABRA2GABRB2
SCHEMBL15033955 0.78 GRM5 (0.63) GRM5
SCHEMBL15034550 0.77 RAB9A (0.54) GRM5POLBL3MBTL1MAPTLMNA
SCHEMBL15033968 0.77 GRM5 (0.54) 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.