SCHEMBL5452977

SCHEMBL5452977

CC(C(=O)O)N1CCNCC1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACE P12821 1/20 0.35
CSNK2A2 P19784 1/20 0.33
CSNK2B P67870 1/20 0.33
CSNK2A1 P68400 1/20 0.33
MAPT P10636 1/20 0.33
TSHR P16473 1/20 0.32
SLC6A1 P30531 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
BLM P54132 1/20 0.31

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
Hydrochloric Acid SCHEMBL3499071 0.98 MEN1 (0.36) MEN1KMT2AACECSNK2A2CSNK2B
SCHEMBL22122291 0.83 RAB9A (0.38) MAPTTSHRSLC6A1SLC6A13
SCHEMBL22122289 0.83 RAB9A (0.38) MAPTTSHRSLC6A1SLC6A13
SCHEMBL8141548 0.79 CHRM5 (0.30) CHRM5CHRM3
SCHEMBL7314915 0.79 ALDH1A1 (0.35) MEN1KMT2AMAPTTSHR
SCHEMBL761343 0.79 MAPT (0.33) MAPT
SCHEMBL22636281 0.78 POLB (0.33)
SCHEMBL22636279 0.78 POLB (0.33)
SCHEMBL1386473 0.76
SCHEMBL25088955 0.76 TOP2A (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 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 (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-20070037807-A1 Pyridine compounds as inhibitors of dipeptidyl peptidase IV DPP4, DPP3, PEPD MEN1 3810/4885KMT2A 1601/4885ACE 39/4885

“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.