SCHEMBL4566187

SCHEMBL4566187

COc1ccc(F)cc1C1CCN(c2ccnc(NNC(=O)CC(F)(F)F)c2Cl)CC1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 4/20 0.53
SLC6A3 Q01959 1/20 0.47
NTSR1 P30989 2/20 0.39
CDK9 P50750 10/20 0.38
CCNT1 O60563 9/20 0.38
CHRM4 P08173 2/20 0.37
CHRM1 P11229 2/20 0.37
IDO1 P14902 1/20 0.37
CHRM2 P08172 1/20 0.37
CHRM5 P08912 1/20 0.37
CASP3 P42574 1/20 0.36
CASP7 P55210 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
SCHEMBL5020053 0.92 GRM2 (0.43) GRM2SLC6A3
SCHEMBL4566385 0.85 GRM2 (0.50) GRM2
SCHEMBL5020035 0.84 GRM2 (0.41) GRM2
SCHEMBL5020038 0.81 GRM2 (0.54) GRM2SLC6A3NTSR1CDK9CCNT1
SCHEMBL16755854 0.81 GRM2 (0.56) GRM2SLC6A3
SCHEMBL5020036 0.78 GRM2 (0.58) GRM2SLC6A3NTSR1CDK9CCNT1
SCHEMBL16755911 0.77 GRM2 (0.52) GRM2
SCHEMBL16755876 0.76 CHRM4 (0.41) GRM2CHRM4CHRM2
SCHEMBL16755901 0.76 GRM2 (0.56) GRM2
SCHEMBL16755836 0.74 GRM2 (0.56) GRM2

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
EP-2638040-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-18 EP disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
US-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2013-09-05 US disclosed
WO-2012062752-A1 RADIOLABELLED mGLuR2 PET LIGANDS Janssen Pharmaceuticals, Inc. (US) 2012-05-18 WO 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-20130230459-A1 RADIOLABELLED mGluR2 PET LIGANDS GRM2, GRM3, GRM1 GRM2 1/4885SLC6A3 310/4885NTSR1 125/4885

“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.