SCHEMBL17020372

SCHEMBL17020372

CN[C@H](C(=O)N1CCC[C@H]1C(C)=O)C(C)C

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.61
DPP8 Q6V1X1 1/20 0.49
DPP9 Q86TI2 1/20 0.49
ACE P12821 6/20 0.43
REN P00797 4/20 0.43
KDM4E B2RXH2 1/20 0.43
F2 P00734 1/20 0.43
LMNA P02545 1/20 0.43
LTA4H P09960 1/20 0.43
MAPT P10636 1/20 0.43
PEPD P12955 1/20 0.43
ALOX15 P16050 1/20 0.43
PTGS1 P23219 1/20 0.43
HTR2A P28223 1/20 0.43
PTGS2 P35354 1/20 0.43
HRH1 P35367 1/20 0.43
THPO P40225 1/20 0.43
PMP22 Q01453 1/20 0.43
HSD17B10 Q99714 1/20 0.43
ACE2 Q9BYF1 1/20 0.43

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
SCHEMBL17305252 0.88 DPP4 (0.52) DPP4DPP8DPP9ACEREN
SCHEMBL30534327 0.88 DPP4 (0.61) DPP4ACERENKDM4EF2
SCHEMBL17305538 0.88 DPP4 (0.61) DPP4ACERENKDM4EF2
SCHEMBL6978337 0.88 DPP4 (0.61) DPP4ACERENKDM4EF2
SCHEMBL4370494 0.85 DPP4 (0.58) DPP4DPP8DPP9ACEREN
SCHEMBL6738391 0.85 DPP4 (0.58) DPP4DPP8DPP9ACEREN
SCHEMBL16656669 0.84 PREP (0.47) DPP4ACERENKDM4EF2
SCHEMBL12566960 0.82 DPP4 (0.51) DPP4DPP8DPP9ELANE
SCHEMBL14462167 0.82 DPP4 (0.56) DPP4ACERENKDM4EF2
SCHEMBL2768336 0.81 DPP4 (0.50) DPP4DPP8DPP9ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS UNIV NEW YORK (US) 2017-08-31 US disclosed
US-9593142-B2 Aldehyde capture ligation technology for synthesis of amide bonds NEW YORK UNIVERSITY (US) 2017-03-14 US disclosed
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS NEW YORK UNIVERSITY (US) 2015-08-20 US 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-20170247324-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 DPP4 1212/4885DPP8 732/4885DPP9 1267/4885
US-20150232504-A1 ALDEHYDE CAPTURE LIGATION TECHNOLOGY FOR SYNTHESIS OF AMIDE BONDS ALDH3A1, ALDH2, ALDH1A1 DPP4 1212/4885DPP8 732/4885DPP9 1267/4885

“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.