SCHEMBL15033974

SCHEMBL15033974

Cc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(N)sc4CC3)n2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.50
MAPT P10636 4/20 0.37
DPP4 P27487 3/20 0.36
DPP8 Q6V1X1 3/20 0.36
DPP9 Q86TI2 3/20 0.36
DPP7 Q9UHL4 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ENPP2 Q13822 1/20 0.34
ABCB1 P08183 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
SCHEMBL15033963 0.96 GRM5 (0.49) GRM5MAPTDPP4DPP8DPP9
SCHEMBL15033976 0.91 GRM5 (0.49) GRM5MAPTDPP4DPP8DPP9
SCHEMBL15033949 0.91 GRM5 (0.46) GRM5MAPTSMN1; SMN2L3MBTL1MEN1
SCHEMBL15033955 0.90 GRM5 (0.63) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033968 0.89 GRM5 (0.54) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15021049 0.89 GRM5 (0.51) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033939 0.84 GRM5 (0.70) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033951 0.83 GRM5 (0.46) GRM5MAPTDPP4DPP8DPP9
SCHEMBL15033937 0.82 GRM5 (0.49) GRM5MAPTSMN1; SMN2TP53L3MBTL1
SCHEMBL15033931 0.82 GRM5 (0.62) GRM5DPP4DPP8DPP9DPP7

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 271/4885DPP4 2882/4885

“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.