SCHEMBL4125965

SCHEMBL4125965

CC(C)(C)C(N)C(=O)NCCF

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 3/20 0.42
DPP7 Q9UHL4 2/20 0.36
RRM1 P23921 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
PTGS1 P23219 1/20 0.33
KCNH2 Q12809 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
ANPEP P15144 1/20 0.33
DNPEP Q9ULA0 1/20 0.33
ECE1 P42892 1/20 0.32

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
SCHEMBL1337609 0.82 USP2 (0.50) DPP4DPP7RRM1USP2TSHR
SCHEMBL1337607 0.82 USP2 (0.50) DPP4DPP7RRM1USP2TSHR
SCHEMBL4115911 0.81 DPP4 (0.40) DPP4DPP7RRM1USP2TSHR
Hydrochloric Acid SCHEMBL1219003 0.80 USP2 (0.48) DPP4DPP7RRM1USP2TSHR
Hydrochloric Acid SCHEMBL1219006 0.80 USP2 (0.48) DPP4DPP7RRM1USP2TSHR
SCHEMBL5873375 0.80 DPP4 (0.42) DPP4DPP7RRM1USP2TSHR
SCHEMBL13688874 0.80 DPP4 (0.42) DPP4DPP7RRM1USP2TSHR
SCHEMBL12884760 0.80 DPP4 (0.42) DPP4DPP7RRM1USP2TSHR
SCHEMBL13688877 0.80 DPP4 (0.42) DPP4DPP7RRM1USP2TSHR
SCHEMBL5873393 0.80 DPP4 (0.42) DPP4DPP7RRM1USP2TSHR

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 4359/4885DPP7 3990/4885RRM1 4174/4885

“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.