SCHEMBL4120727

SCHEMBL4120727

CCN(CCO)C(=O)C([NH])C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
ALDH1A1 P00352 1/20 0.37
ALDH2 P05091 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL4120704 0.86 DPP4 (0.43) DPP4ALDH1A1
SCHEMBL4121226 0.85 DPP4 (0.38) DPP4
SCHEMBL4120731 0.78 DPP4 (0.62) DPP4ALDH1A1ALDH2
SCHEMBL17704657 0.76 ALDH1A1 (0.42) DPP4ALDH1A1ALDH2L3MBTL1
SCHEMBL12156217 0.74 ALDH1A1 (0.43) DPP4ALDH1A1ALDH2L3MBTL1
SCHEMBL2310527 0.72 ALDH1A1 (0.42) ALDH1A1ALDH2
SCHEMBL28351049 0.71 ALDH1A1 (0.41) DPP4ALDH1A1ALDH2L3MBTL1
SCHEMBL22926638 0.71 ALDH1A1 (0.41) DPP4ALDH1A1ALDH2L3MBTL1
SCHEMBL12783372 0.70 ALDH1A1 (0.43) DPP4ALDH1A1ALDH2
SCHEMBL14679309 0.68 CHRNB2 (0.33) DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 DPP4 4359/4885ALDH1A1 1759/4885ALDH2 4545/4885

“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.