SCHEMBL5020012

SCHEMBL5020012

COc1cccc(F)c1C1CCN(c2ccnc(Cl)c2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 12/20 0.58
NTSR1 P30989 1/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPC1 O15118 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A3 Q01959 2/20 0.38
NTRK1 P04629 1/20 0.38
MAP4K1 Q92918 1/20 0.38
ABCB1 P08183 1/20 0.37

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
SCHEMBL15226823 0.86 GRM2 (0.54) GRM2NTSR1MAPK1SMN1; SMN2NPC1
SCHEMBL5020036 0.80 GRM2 (0.58) GRM2NTSR1HTR2ASLC6A3
SCHEMBL4566385 0.78 GRM2 (0.50) GRM2NTRK1MAP4K1
SCHEMBL16755918 0.76 GRM2 (0.60) GRM2NTSR1
SCHEMBL16755714 0.76 GRM2 (0.57) GRM2MAPK1SMN1; SMN2HTR2ASLC6A3
SCHEMBL10819367 0.74 ABCB1 (0.48) GRM2SLC6A3MAP4K1ABCB1
SCHEMBL747787 0.74 GRM2 (1.00) GRM2HTR2ASLC6A3
SCHEMBL15236760 0.74 GRM2 (0.54) GRM2
SCHEMBL31614220 0.73 HTR1A (0.50) GRM2NTSR1SLC6A3ABCB1
SCHEMBL750690 0.73 GRM2 (0.79) GRM2HTR2ASLC6A3

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
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
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 1/4885NTSR1 125/4885MAPK1 2974/4885

“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.