SCHEMBL15033987

SCHEMBL15033987

Cc1ccc(-c2cn(-c3ccc(F)cc3)c(CC(=O)N3CCc4nc(C)oc4C3)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.42
MAPT P10636 6/20 0.38
TP53 P04637 2/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35
DPP7 Q9UHL4 1/20 0.35
ABCB1 P08183 1/20 0.34
LMNA P02545 1/20 0.34
KCNH2 Q12809 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
TAAR1 Q96RJ0 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
SCHEMBL15021046 0.97 GRM5 (0.44) GRM5MAPTDPP4DPP8DPP9
SCHEMBL15033930 0.92 MAPT (0.42) GRM5MAPTSMN1; SMN2ABCB1MAPK1
SCHEMBL15033995 0.90 GRM5 (0.54) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033994 0.89 GRM5 (0.46) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033957 0.86 GRM5 (0.43) GRM5MAPTTP53SMN1; SMN2LMNA
SCHEMBL15033971 0.83 GRM5 (0.43) GRM5MAPTSMN1; SMN2ABCB1LMNA
SCHEMBL15033976 0.80 GRM5 (0.49) GRM5MAPTTP53SMN1; SMN2DPP4
SCHEMBL15033974 0.79 GRM5 (0.50) GRM5MAPTTP53SMN1; SMN2DPP4
SCHEMBL15025564 0.78 GRM5 (0.65) GRM5
SCHEMBL15021049 0.77 GRM5 (0.51) GRM5SMN1; SMN2DPP4DPP8DPP9

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 271/4885TP53 4248/4885

“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.