SCHEMBL4132085

SCHEMBL4132085

CC(C)(C)C(N)C(=O)NCC1OCCO1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.38
FAP Q12884 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33
DPP7 Q9UHL4 1/20 0.33
ARG1 P05089 3/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ARG2 P78540 2/20 0.31

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
SCHEMBL4121666 0.80 MEN1 (0.53) MEN1KMT2A
SCHEMBL4125694 0.79 TDP1 (0.38) DPP4FAPDPP8DPP9DPP7
SCHEMBL12017885 0.76 DPP4 (0.37) DPP4FAPMEN1KMT2A
SCHEMBL11634507 0.73 HPGD (0.35) MEN1KMT2A
SCHEMBL4178226 0.72 ALDH1A2 (0.43) MEN1KMT2A
SCHEMBL12019279 0.71 CHRNB4 (0.36) MEN1KMT2A
SCHEMBL2735577 0.71 DPP4 (0.46) DPP4DPP7ARG1KMT2A
SCHEMBL8034816 0.71 DPP4 (0.46) DPP4DPP7ARG1KMT2A
SCHEMBL24576792 0.69 TAAR1 (0.39) DPP4FAPDPP8DPP9DPP7
SCHEMBL24576750 0.69 TAAR1 (0.39) DPP4FAPDPP8DPP9DPP7

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 4359/4885FAP 2952/4885DPP8 3805/4885

“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.