SCHEMBL4792145

SCHEMBL4792145

CC(C)(C)OC(=O)N1CCc2nc(-c3ccccc3)nnc2C1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.47
MAPT P10636 2/20 0.46
CKS1B P61024 2/20 0.46
SKP1 P63208 2/20 0.46
SKP2 Q13309 2/20 0.46
HPGDS O60760 3/20 0.45
MTOR P42345 3/20 0.45
PARP1 P09874 1/20 0.44
TNKS2 Q9H2K2 1/20 0.44
PARP2 Q9UGN5 1/20 0.44
ESR2 Q92731 1/20 0.44
GRM5 P41594 1/20 0.43
GRM1 Q13255 1/20 0.43
MAPK1 P28482 1/20 0.43
NR1H2 P55055 1/20 0.43
GBA1 P04062 1/20 0.42
GRAMD1A Q96CP6 1/20 0.42
USP30 Q70CQ3 1/20 0.42

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
SCHEMBL4792727 0.95 PDE10A (0.47) PDE10AMAPTCKS1BSKP1SKP2
SCHEMBL4869778 0.89 MTOR (0.46) PDE10AMAPTHPGDSMTORPARP1
SCHEMBL4871352 0.84 MTOR (0.46) PDE10AMAPTHPGDSMTORPARP1
SCHEMBL30785603 0.84 MAPT (0.62) PDE10AMAPTCKS1BSKP1SKP2
SCHEMBL21042225 0.84 MAPT (0.52) PDE10AMAPTCKS1BSKP1SKP2
SCHEMBL6294666 0.84 MAPT (0.62) PDE10AMAPTCKS1BSKP1SKP2
SCHEMBL3119582 0.82 PDE10A (0.54) PDE10AMAPTCKS1BSKP1SKP2
SCHEMBL25341749 0.81 MTOR (0.50) PDE10AMAPTCKS1BSKP1SKP2
SCHEMBL1261353 0.79 MTOR (0.49) PDE10ACKS1BSKP1SKP2MTOR
SCHEMBL4791253 0.79 MAPT (0.46) MAPTMTORPARP1TNKS2PARP2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1592689-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-12-24 EP disclosed
US-7388019-B2 3-amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2008-06-17 US disclosed
US-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME LLC 2006-04-06 US disclosed
EP-1592689-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-11-09 EP disclosed
WO-2004069162-A2 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-08-19 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-20060074087-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 PDE10A 1959/4885MAPT 3014/4885CKS1B 3943/4885

“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.