SCHEMBL2574971

SCHEMBL2574971

CCOC(=O)N1CCN(C(=O)[C@@H](N)Cc2ccc(C#N)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.57
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
AKT3 Q9Y243 1/20 0.54
FAP Q12884 4/20 0.53
DPP8 Q6V1X1 4/20 0.53
DPP9 Q86TI2 4/20 0.53
DPP7 Q9UHL4 4/20 0.53
HRH1 P35367 3/20 0.51
HRH2 P25021 2/20 0.51
HRH3 Q9Y5N1 1/20 0.51
TSHR P16473 1/20 0.47
GAA P10253 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HTR1A P08908 1/20 0.45
DRD4 P21917 1/20 0.45
HTR2A P28223 1/20 0.45
OPRM1 P35372 1/20 0.45
LMNA P02545 1/20 0.45

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
SCHEMBL7029548 1.00 DPP4 (0.57) DPP4AKT1AKT2AKT3FAP
Hydrochloric Acid SCHEMBL2574968 0.99 DPP4 (0.56) DPP4AKT1AKT2AKT3FAP
Hydrochloric Acid SCHEMBL2574972 0.99 DPP4 (0.56) DPP4AKT1AKT2AKT3FAP
SCHEMBL9994557 0.89 DPP4 (0.58) DPP4AKT1AKT2AKT3FAP
Hydrochloric Acid SCHEMBL9994554 0.88 DPP4 (0.57) DPP4AKT1AKT2AKT3FAP
Hydrochloric Acid SCHEMBL9994561 0.88 DPP4 (0.57) DPP4AKT1AKT2AKT3FAP
SCHEMBL8485011 0.86 DPP4 (0.61) DPP4AKT1AKT2AKT3FAP
SCHEMBL12618900 0.86 DPP7 (0.56) DPP4AKT1AKT2AKT3FAP
SCHEMBL13456371 0.86 DPP7 (0.56) DPP4AKT1AKT2AKT3FAP
SCHEMBL8488107 0.86 DPP4 (0.63) DPP4AKT1AKT2AKT3FAP

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
US-8048881-B2 Uding 4-aminocarbonyl-pyrimidine; vascular disorders; cardiovascular disorders; thrombosis; brain disorders; vision defects ACTELION PHARMACEUTICALS LTD. (CH) 2011-11-01 US disclosed
US-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists ACTELION PHARMACEUTICALS LTD. (CH) 2008-08-14 US disclosed
EP-1893634-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS Actelion Pharmaceuticals Ltd. (CH) 2008-03-05 EP disclosed
WO-2006114774-A2 PYRIMIDINE DERIVATIVES AND THEIR USE AS P2Y12 RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2006-11-02 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-20080194576-A1 Pyrimidine Derivatives and Their Use as P2Y12 Receptor Antagonists P2RY12, P2RY13, P2RY4 DPP4 184/4885AKT1 2275/4885AKT2 2353/4885

“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.