SCHEMBL15464600

SCHEMBL15464600

CCOC(=O)C=Cc1cc(OC)ncc1C(=O)OC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.45
FDPS P14324 1/20 0.43
NNMT P40261 1/20 0.42
MAOB P27338 1/20 0.41
CCNC P24863 5/20 0.39
CDK8 P49336 5/20 0.39
TTR P02766 1/20 0.39
CYP3A4 P08684 2/20 0.39
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL15464599 1.00 DPP4 (0.45) DPP4FDPSNNMTMAOBCCNC
SCHEMBL20439711 0.84 DPP4 (0.48) DPP4FDPSNNMTMAOBCCNC
SCHEMBL29550737 0.84 DPP4 (0.48) DPP4FDPSNNMTMAOBCCNC
SCHEMBL29602518 0.82 DPP4 (0.44) DPP4FDPSNNMTMAOBCCNC
SCHEMBL2543479 0.82 DPP4 (0.44) DPP4FDPSNNMTMAOBCCNC
SCHEMBL30645895 0.82 DPP4 (0.49) DPP4FDPSNNMTMAOBCCNC
SCHEMBL20522689 0.79 APP (0.44) DPP4FDPSALDH1A1MAPTNPSR1
SCHEMBL20522690 0.79 APP (0.44) DPP4FDPSALDH1A1MAPTNPSR1
SCHEMBL15465343 0.77 NNMT (0.47) NNMTALDH1A1MAPT
SCHEMBL25269344 0.76 DPP4 (0.48) DPP4FDPSMAOBCCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2880028-B1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
US-9527875-B2 Antidiabetic tricyclic compounds MERCK SHARP & DOHME CORP. (US) 2016-12-27 US disclosed
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME LLC 2015-07-09 US disclosed
EP-2880028-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS Merck Sharp & Dohme Corp. (US) 2015-06-10 EP disclosed
US-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-13 US disclosed
WO-2014019186-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 WO disclosed
WO-2014022528-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2014-02-06 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 (2 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-20140045746-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 DPP4 54/4885FDPS 2719/4885NNMT 3303/4885
US-20150191495-A1 ANTIDIABETIC TRICYCLIC COMPOUNDS GPR119, GPR65, GPR52 DPP4 54/4885FDPS 2719/4885NNMT 3303/4885

“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.