SCHEMBL5019999

SCHEMBL5019999

COc1cc(F)cc(F)c1C1=CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRM1 Q13255 11/20 0.49
GRM5 P41594 10/20 0.49
PDK4 Q16654 1/20 0.48
CDK9 P50750 4/20 0.45
NAMPT P43490 1/20 0.43
CCNT1 O60563 2/20 0.43
TLR7 Q9NYK1 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL24753346 0.89 GRM1 (0.48) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL30120328 0.89 GRM1 (0.48) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL4542408 0.84 GRM1 (0.56) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL4539597 0.83 PDK4 (0.48) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL25175444 0.82 PDK4 (0.53) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL12895283 0.82 GRM1 (0.54) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL3435563 0.82 GRM1 (0.47) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL31131369 0.81 PDK4 (0.52) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL6396667 0.81 PDK4 (0.52) GRM1GRM5PDK4CDK9NAMPT
SCHEMBL23216352 0.81 GRM1 (0.50) GRM1GRM5PDK4NAMPTGPR119

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 GRM1 3/4885GRM5 6/4885PDK4 2629/4885

“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.