SCHEMBL4566385

SCHEMBL4566385

COc1cccc(F)c1C1CCN(c2ccnc(NNC(=O)CC(F)(F)F)c2Cl)CC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 10/20 0.50
P2RX7 Q99572 1/20 0.39
MAP4K1 Q92918 3/20 0.37
NTRK1 P04629 2/20 0.37
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
FLT3 P36888 1/20 0.35
PRKAA1 Q13131 1/20 0.35
ENPP1 P22413 1/20 0.35
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
KIT P10721 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
SCHEMBL5020035 0.92 GRM2 (0.41) GRM2P2RX7MEN1KMT2ANPSR1
SCHEMBL16755836 0.89 GRM2 (0.56) GRM2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL4566187 0.85 GRM2 (0.53) GRM2
SCHEMBL5020053 0.82 GRM2 (0.43) GRM2KMT2ANPSR1
SCHEMBL15226823 0.81 GRM2 (0.54) GRM2MAP4K1NTRK1FLT3PRKAA1
SCHEMBL16755995 0.78 GRM2 (0.55) GRM2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL5020012 0.78 GRM2 (0.58) GRM2MAP4K1NTRK1
SCHEMBL16755876 0.77 CHRM4 (0.41) GRM2
SCHEMBL16755922 0.74 GRM2 (0.56) GRM2MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL15226788 0.73 ACACB (0.39) GRM2MAP4K1NTRK1FLT3PRKAA1

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 3 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
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 1/4885P2RX7 367/4885MAP4K1 3060/4885

“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.