SCHEMBL4775918

SCHEMBL4775918

CCC1c2nccnc2CCN1C(=O)OC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 4/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
FAAH O00519 1/20 0.34
ATM Q13315 2/20 0.34
TRPM8 Q7Z2W7 1/20 0.34
PARP1 P09874 1/20 0.34
POLB P06746 1/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.33
PDE10A Q9Y233 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL31569291 0.82 POLB (0.41) GPR119MEN1KMT2AMAPTTRPM8
SCHEMBL4872735 0.81 TRPM8 (0.35) TRPM8KDM4E
SCHEMBL19078479 0.76 ATM (0.41) MEN1KMT2AMAPTALDH1A1ATM
SCHEMBL31569315 0.74 GPR119 (0.42) GPR119MEN1KMT2AMAPTTRPM8
SCHEMBL34469074 0.74 POLB (0.41) GPR119MEN1KMT2AMAPTTRPM8
SCHEMBL24656640 0.73 ALDH1A1 (0.34) MEN1KMT2AALDH1A1ATMPARP1
SCHEMBL25527948 0.73 ALDH1A1 (0.34) MEN1KMT2AALDH1A1ATMPARP1
SCHEMBL31569305 0.73 POLB (0.40) GPR119MEN1KMT2AMAPTTRPM8
SCHEMBL31569281 0.73 POLB (0.40) GPR119MEN1KMT2AMAPTTRPM8
SCHEMBL31568959 0.72 GPR119 (0.41) GPR119MAPTTRPM8POLBKDM4E

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 GPR119 120/4885MEN1 4771/4885KMT2A 2548/4885

“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.