SCHEMBL4120711

SCHEMBL4120711

CCN(CC)C(=O)C(N)C(C)(C)C

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 9/20 0.72
LMNA P02545 2/20 0.34
ALDH1A1 P00352 3/20 0.33
MAPT P10636 1/20 0.33
PTGS1 P23219 1/20 0.33
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP8 P22894 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
RECQL P46063 1/20 0.32
HTT P42858 2/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL4121228 0.86 DPP4 (0.62) DPP4
SCHEMBL4120731 0.86 DPP4 (0.62) DPP4ALDH1A1
SCHEMBL8321440 0.85 DPP4 (1.00) DPP4ALDH1A1HTT
SCHEMBL8326636 0.85 DPP4 (1.00) DPP4ALDH1A1HTT
SCHEMBL2746913 0.78 DPP4 (0.53) DPP4ALDH1A1MAPTPTGS1
SCHEMBL1619585 0.74 DPP4 (0.47) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL1619583 0.74 DPP4 (0.47) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL5438409 0.73 DPP4 (0.42) DPP4LMNAALDH1A1MMP1MMP2
SCHEMBL5103035 0.73 DPP4 (0.53) DPP4ALDH1A1MAPTPTGS1
SCHEMBL3948078 0.73 DPP4 (0.42) DPP4LMNAALDH1A1MMP1MMP2

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 4359/4885LMNA 3582/4885ALDH1A1 1759/4885

“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.