SCHEMBL15021049

SCHEMBL15021049

Cc1nc2c(s1)CCN(C(=O)Cc1nc(-c3ccc(F)cc3)cn1-c1ccc(F)cc1)CC2

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.51
DPP8 Q6V1X1 4/20 0.42
DPP4 P27487 3/20 0.42
DPP9 Q86TI2 3/20 0.42
DPP7 Q9UHL4 3/20 0.42
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
HSD17B10 Q99714 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
SCHEMBL15033976 0.97 GRM5 (0.49) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033951 0.94 GRM5 (0.46) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033931 0.92 GRM5 (0.62) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033954 0.91 GRM5 (0.53) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033963 0.89 GRM5 (0.49) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033974 0.89 GRM5 (0.50) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033970 0.88 GRM5 (0.49) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033956 0.87 GRM5 (0.56) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033997 0.85 GRM5 (0.69) GRM5DPP8DPP4DPP9DPP7
SCHEMBL15033938 0.85 GRM5 (0.49) GRM5MEN1HPGDKMT2ASMN1; SMN2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2791117-B1 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODULATORS BOEHRINGER INGELHEIM INT (DE) 2016-03-16 EP 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-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
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 3454/4885DPP4 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.