SCHEMBL4122444

SCHEMBL4122444

CC(C)(C)C([NH])C(=O)N1Cc2ccccc2C1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.52
DPP8 Q6V1X1 6/20 0.49
DPP9 Q86TI2 6/20 0.49
DPP7 Q9UHL4 6/20 0.49
DPP4 P27487 4/20 0.49
HDAC8 Q9BY41 4/20 0.46
RIPK1 Q13546 2/20 0.46
HSP90AA1 P07900 3/20 0.46
HSP90AB1 P08238 2/20 0.46
HSP90B1 P14625 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
NAMPT P43490 1/20 0.43
ACE P12821 1/20 0.43

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
SCHEMBL4122448 0.79 DPP8 (0.68) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL6230600 0.76 MAPK1 (0.45) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL8206656 0.76 NAMPT (0.65) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL16356396 0.74 NOTUM (0.58) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL4779078 0.74 DPP8 (0.71) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL4779080 0.74 DPP8 (0.71) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL4775055 0.73 DPP7 (0.66) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL4775064 0.73 DPP7 (0.66) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL4779218 0.72 DPP8 (0.69) NOTUMDPP8DPP9DPP7DPP4
SCHEMBL27283804 0.72 NOTUM (0.55) NOTUMDPP8DPP9DPP7DPP4

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 NOTUM 1656/4885DPP8 3805/4885DPP9 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.