SCHEMBL4698100

SCHEMBL4698100

CC(C)(C)OC(=O)NC(C(=O)O)C1CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
SIGMAR1 Q99720 3/20 0.51
L3MBTL1 Q9Y468 1/20 0.49
KMT2A Q03164 2/20 0.48
MAPK1 P28482 1/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ACE P12821 1/20 0.46
GPR119 Q8TDV5 1/20 0.46
CTSL P07711 1/20 0.46
GRIN2B Q13224 1/20 0.45
YAP1 P46937 1/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FKBP1A P62942 1/20 0.44

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
SCHEMBL16096333 0.83 CTSL (0.55) KMT2AMAPK1NPC1GPR119CTSL
SCHEMBL21062628 0.79 GPR119 (0.56) L3MBTL1GPR119CTSLYAP1
SCHEMBL22552460 0.79 GPR119 (0.56) L3MBTL1GPR119CTSLYAP1
SCHEMBL22552461 0.79 GPR119 (0.56) L3MBTL1GPR119CTSLYAP1
SCHEMBL2554913 0.79 GPR119 (0.54) KMT2AMAPK1GPR119CTSL
SCHEMBL1439194 0.77 MMP13 (0.54) GPR119HPGD
SCHEMBL2603249 0.76 POLB (0.68) POLBL3MBTL1KMT2ANPC1TDP1
SCHEMBL21096445 0.75 CPN1 (0.45) KMT2A
SCHEMBL22031555 0.75 L3MBTL1 (0.71) POLBSIGMAR1L3MBTL1KMT2ANPC1
SCHEMBL16096742 0.74 CTSL (0.52) KMT2AMAPK1NPC1CTSLSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1385508-B1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2008-05-21 EP disclosed
US-7026316-B2 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. (US) 2006-04-11 US disclosed
EP-1385508-A4 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2005-06-08 EP disclosed
US-20040106656-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. 2004-06-03 US disclosed
EP-1385508-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2004-02-04 EP disclosed
WO-2002076450-A1 DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2002-10-03 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-20040106656-A1 Dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 POLB 2263/4885SIGMAR1 4713/4885L3MBTL1 3409/4885

“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.