SCHEMBL4122458

SCHEMBL4122458

COCCN(C)C(=O)C(N)C(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 7/20 0.53
PIK3CD O00329 1/20 0.33
HDAC4 P56524 1/20 0.33
NAMPT P43490 1/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
MAP4K4 O95819 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ATM Q13315 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 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
SCHEMBL2746323 0.79 DPP4 (0.58) DPP4KDM4EATM
SCHEMBL4122456 0.79 PIK3CD (0.33) DPP4PIK3CDHDAC4NAMPTKCNQ3
SCHEMBL1911520 0.75 PIK3CD (0.43) DPP4PIK3CDHDAC4NAMPTKDM4E
SCHEMBL17152465 0.74 SLC7A5 (0.42) DPP4PIK3CDHDAC4NAMPT
SCHEMBL21570251 0.72 DPP4 (0.58) DPP4
SCHEMBL21086856 0.72 DPP4 (0.58) DPP4
SCHEMBL7986296 0.71 DPP4 (0.49) DPP4
SCHEMBL7986301 0.71 DPP4 (0.49) DPP4
SCHEMBL13223495 0.71 HDAC4 (0.37) PIK3CDHDAC4NAMPTKCNQ3KCNQ2
SCHEMBL4132078 0.71 DPP4 (0.47) 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 4359/4885PIK3CD 1651/4885HDAC4 1681/4885

“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.