SCHEMBL15021046

SCHEMBL15021046

Cc1nc2c(o1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)cn1-c1ccc(F)cc1)CC2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.44
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 3/20 0.37
DPP7 Q9UHL4 3/20 0.37
GABRG2 P18507 3/20 0.35
GABRB3 P28472 3/20 0.35
GABRA5 P31644 3/20 0.35
KCNH2 Q12809 2/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
CYP2B6 P20813 1/20 0.34
CYP2C19 P33261 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
MAPT P10636 2/20 0.34
LMNA P02545 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 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
SCHEMBL15033987 0.97 GRM5 (0.42) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033930 0.94 MAPT (0.42) GRM5MAPTMAPK1
SCHEMBL15033995 0.93 GRM5 (0.54) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033994 0.91 GRM5 (0.46) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15033957 0.88 GRM5 (0.43) GRM5MAPTLMNATSHRMAPK1
SCHEMBL15033971 0.85 GRM5 (0.43) GRM5GABRA2GABRB2MAPTLMNA
SCHEMBL15025564 0.80 GRM5 (0.65) GRM5
SCHEMBL15021049 0.79 GRM5 (0.51) GRM5DPP4DPP8DPP9DPP7
SCHEMBL15025561 0.78 GRM5 (0.71) GRM5
SCHEMBL15033976 0.77 GRM5 (0.49) 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 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 1/4885DPP4 2882/4885DPP8 3454/4885

“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.