SCHEMBL15033930

SCHEMBL15033930

COc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(C)oc4C3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HPGD P15428 1/20 0.42
GRM5 P41594 7/20 0.42
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 2/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABCB1 P08183 1/20 0.36
ABCC1 P33527 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL15021046 0.94 GRM5 (0.44) MAPTGRM5MAPK1
SCHEMBL15033971 0.92 GRM5 (0.43) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15033987 0.92 GRM5 (0.42) MAPTSMN1; SMN2GRM5MAPK1ABCB1
SCHEMBL15033957 0.91 GRM5 (0.43) MAPTSMN1; SMN2MEN1KMT2AGRM5
SCHEMBL15033995 0.87 GRM5 (0.54) GRM5
SCHEMBL15033994 0.86 GRM5 (0.46) GRM5
SCHEMBL15033951 0.81 GRM5 (0.46) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15033949 0.79 GRM5 (0.46) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15033993 0.78 GRM5 (0.51) MAPTSMN1; SMN2MEN1KMT2AHPGD
SCHEMBL15033990 0.76 GRM5 (0.47) MAPTSMN1; SMN2MEN1KMT2AHPGD

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 MAPT 271/4885SMN1; SMN2 2379/4885MEN1 4793/4885

“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.