SCHEMBL5276608

SCHEMBL5276608

CC(C)(C)OC(=O)N1CCn2cc(C(=O)C3CC3)nc2C1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 3/20 0.44
STS P08842 4/20 0.39
NR1H2 P55055 2/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
ATM Q13315 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
SCHEMBL1817445 0.85 ADORA1 (0.42) MGLLNR1H2HDAC6ALDH1A1HTT
SCHEMBL14553991 0.85 MGLL (0.43) MGLLNR1H2GPR119HDAC6ALDH1A1
SCHEMBL19609080 0.83 NR1H2 (0.50) MGLLNR1H2GPR119HDAC6ALDH1A1
SCHEMBL14970421 0.82 MGLL (0.44) MGLLHDAC6HPGDALDH1A1HTT
SCHEMBL14552561 0.82 MGLL (0.44) MGLLNR1H2GPR119HDAC6ALDH1A1
SCHEMBL2752401 0.80 ADORA1 (0.47) MGLLNR1H2GPR119HDAC6HPGD
SCHEMBL5267788 0.79 MGLL (0.44) MGLLNR1H2GPR119HDAC6ALDH1A1
SCHEMBL16219065 0.79 MGLL (0.48) MGLLHDAC6
SCHEMBL15933470 0.79 NR1H2 (0.41) NR1H2ALDH1A1HTTATM
SCHEMBL25811604 0.78 ADORA1 (0.39) MGLLNR1H2HDAC6ALDH1A1HTT

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-1583534-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-08-29 EP disclosed
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. 2006-03-09 US disclosed
EP-1583534-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-10-12 EP disclosed
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 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-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 MGLL 1347/4885STS 3046/4885NR1H2 3748/4885

“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.