SCHEMBL2220706

SCHEMBL2220706

CC(C)CN[C@H]1CCCN(C(=O)O)C1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.38
HCRTR2 O43614 3/20 0.37
DPP4 P27487 2/20 0.36
DPP8 Q6V1X1 1/20 0.36
DPP9 Q86TI2 1/20 0.36
DPP7 Q9UHL4 1/20 0.36
ACE P12821 7/20 0.35
REN P00797 4/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 2/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
F2 P00734 1/20 0.35
LTA4H P09960 1/20 0.35
MAPT P10636 1/20 0.35
PEPD P12955 1/20 0.35
ALOX15 P16050 1/20 0.35
PTGS1 P23219 1/20 0.35
HTR2A P28223 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL4112005 0.91 CYP2C19 (0.32) RAB9ADPP4LMNACYP2C19KDM4E
SCHEMBL2247974 0.85 HSD17B10 (0.35) RAB9AHCRTR2DPP4DPP8DPP9
SCHEMBL6422872 0.81 LMNA (0.36) DPP4DPP8DPP9DPP7LMNA
SCHEMBL7018182 0.81 LMNA (0.36) DPP4DPP8DPP9DPP7LMNA
SCHEMBL20986580 0.81 LMNA (0.35) DPP4DPP8DPP9DPP7ACE
SCHEMBL28673235 0.81 KMT2A (0.38) RAB9ALMNACYP2C19KDM4E
SCHEMBL20914538 0.79 DPP4 (0.34) DPP4DPP8DPP9DPP7LMNA
SCHEMBL21356962 0.77 LMNA (0.40) DPP4DPP8DPP9DPP7ACE
SCHEMBL2467671 0.73 DPP4 (0.50) DPP4LMNAKDM4EMAPT
SCHEMBL23573046 0.73 SMN1; SMN2 (0.34) DPP4LMNAHSD17B10CYP2C19KDM4E

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED 2011-07-21 US disclosed

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-20110178057-A1 HETEROCYCLIC COMPOUND AND USE THEREOF REN, AGT, ACE RAB9A 951/4885HCRTR2 902/4885DPP4 119/4885

“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.