SCHEMBL15033949

SCHEMBL15033949

COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(N)sc4CC3)n2)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.46
MAPT P10636 7/20 0.44
MAPK1 P28482 2/20 0.44
ALDH1A1 P00352 1/20 0.44
RAB9A P51151 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.37
POLB P06746 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL15033963 0.93 GRM5 (0.49) GRM5MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15033937 0.92 GRM5 (0.49) GRM5MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15033951 0.91 GRM5 (0.46) GRM5MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15033974 0.91 GRM5 (0.50) GRM5MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15033955 0.86 GRM5 (0.63) GRM5
SCHEMBL15033968 0.85 GRM5 (0.54) GRM5L3MBTL1
SCHEMBL15021049 0.85 GRM5 (0.51) GRM5SMN1; SMN2MEN1HPGDKMT2A
SCHEMBL15033938 0.83 GRM5 (0.49) GRM5MAPTMAPK1ALDH1A1RAB9A
SCHEMBL15033976 0.82 GRM5 (0.49) GRM5MAPTSMN1; SMN2MEN1HPGD
SCHEMBL15033970 0.82 GRM5 (0.49) GRM5MAPTMAPK1ALDH1A1RAB9A

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 1/4885MAPT 271/4885MAPK1 1026/4885

“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.