SCHEMBL15033941

SCHEMBL15033941

Cc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3Cc4nc(C)sc4C3)n2)cc1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.54
DPP8 Q6V1X1 2/20 0.40
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
MAPT P10636 4/20 0.39
DPP4 P27487 1/20 0.38
DPP9 Q86TI2 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
TP53 P04637 1/20 0.38
ABCB1 P08183 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A3 P47895 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
SCHEMBL15033956 0.97 GRM5 (0.56) GRM5DPP8HDAC1HDAC2MAPT
SCHEMBL15033993 0.91 GRM5 (0.51) GRM5DPP8HDAC1HDAC2MAPT
SCHEMBL15033976 0.88 GRM5 (0.49) GRM5DPP8MAPTDPP4DPP9
SCHEMBL15021049 0.84 GRM5 (0.51) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033972 0.82 GRM5 (0.62) GRM5DPP8HDAC1HDAC2MAPT
SCHEMBL15033951 0.79 GRM5 (0.46) GRM5DPP8MAPTDPP4DPP9
SCHEMBL15033974 0.79 GRM5 (0.50) GRM5DPP8MAPTDPP4DPP9
SCHEMBL15033931 0.78 GRM5 (0.62) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15025566 0.77 GRM5 (0.84) GRM5DPP8HDAC1HDAC2DPP4
SCHEMBL15034001 0.77 MAPT (0.51) MAPTSMN1; SMN2TP53ABCB1MEN1

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 1/4885DPP8 3454/4885HDAC1 1339/4885

“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.