SCHEMBL15033929

SCHEMBL15033929

COc1cccc(N2CCN(C(=O)Cc3nc(-c4ccc(C)cc4)cn3-c3ccc(F)cc3)CC2=O)c1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.47
CCKAR P32238 12/20 0.43
MAPT P10636 1/20 0.43
LMNA P02545 1/20 0.42
SCN9A Q15858 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL15033990 0.95 GRM5 (0.47) GRM5CCKARMAPTLMNASCN9A
SCHEMBL15033940 0.88 GRM5 (0.62) GRM5CCKARMAPTSCN9A
SCHEMBL15034002 0.87 GRM5 (0.58) GRM5MAPTLMNASCN9APOLB
SCHEMBL15033973 0.87 GRM5 (0.54) GRM5CCKARMAPTSCN9ASMN1; SMN2
SCHEMBL15034518 0.80 GRM5 (0.53) GRM5CCKARMAPTPOLBKMT2A
SCHEMBL15034522 0.78 GRM5 (0.50) GRM5CCKARMAPTLMNAKMT2A
SCHEMBL15023697 0.77 GRM5 (0.53) GRM5MAPTLMNAPOLBKMT2A
SCHEMBL15034555 0.76 GRM5 (0.54) GRM5MAPTLMNAPOLBKMT2A
SCHEMBL15025586 0.76 GRM5 (0.78) GRM5MAPT
SCHEMBL15034554 0.76 POLB (0.44) GRM5CCKARMAPTLMNAPOLB

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 6 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
WO-2013087807-A1 4-ARYL IMIDAZOLE DERIVATIVES AS MGLU5 POSITIVE ALLESTERIC MODIULATORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-06-20 WO 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 1/4885CCKAR 306/4885MAPT 271/4885

“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.