SCHEMBL4122448

SCHEMBL4122448

CC(C)(C)C(N)C(=O)N1Cc2ccccc2C1

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 8/20 0.68
DPP7 Q9UHL4 8/20 0.68
DPP9 Q86TI2 7/20 0.68
DPP4 P27487 6/20 0.68
HDAC8 Q9BY41 6/20 0.54
NOTUM Q6P988 2/20 0.52
RIPK1 Q13546 2/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL14655957 0.89 ACE (0.58) DPP8DPP7DPP9DPP4HDAC8
Hydrochloric Acid SCHEMBL9032178 0.88 HDAC8 (0.60) DPP8DPP7DPP9DPP4HDAC8
SCHEMBL21746415 0.82 DPP9 (1.00) DPP8DPP7DPP9DPP4
SCHEMBL21156689 0.82 DPP9 (1.00) DPP8DPP7DPP9DPP4
SCHEMBL4779078 0.81 DPP8 (0.71) DPP8DPP7DPP9DPP4HDAC8
SCHEMBL4779080 0.81 DPP8 (0.71) DPP8DPP7DPP9DPP4HDAC8
SCHEMBL4775064 0.80 DPP7 (0.66) DPP8DPP7DPP9DPP4HDAC8
SCHEMBL4775055 0.80 DPP7 (0.66) DPP8DPP7DPP9DPP4HDAC8
SCHEMBL4122444 0.79 NOTUM (0.52) DPP8DPP7DPP9DPP4HDAC8
SCHEMBL14655984 0.76 DPP8 (0.51) DPP8DPP7DPP9DPP4HDAC8

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 DPP8 3805/4885DPP7 3990/4885DPP9 4313/4885

“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.