SCHEMBL25759811

SCHEMBL25759811

CCc1cnc(CC)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
AGBL2 Q5U5Z8 2/20 0.35
PARP1 P09874 1/20 0.33
L3MBTL1 Q9Y468 3/20 0.32
KDM4E B2RXH2 2/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
RAPGEF4 Q8WZA2 1/20 0.31
PDE10A Q9Y233 2/20 0.31
PTGS2 P35354 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HIF1A Q16665 1/20 0.30

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
SCHEMBL14213086 0.81 MAP4K1 (0.34) NOS3NOS1NOS2AGBL2PARP1
SCHEMBL20309155 0.81 AGBL2 (0.38) NOS3NOS1NOS2AGBL2
SCHEMBL20261632 0.79 ALDH1A1 (0.43) PDE10AALDH1A1HPGD
SCHEMBL29384905 0.79 NOS3 (0.48) NOS3NOS1NOS2AGBL2L3MBTL1
SCHEMBL873234 0.79 NOS3 (0.48) NOS3NOS1NOS2AGBL2L3MBTL1
SCHEMBL10310085 0.79 NOS3 (0.38) NOS3NOS1NOS2PARP1L3MBTL1
SCHEMBL14213481 0.78 KCNH2 (0.34) PARP1
SCHEMBL12328187 0.78 AGBL2 (0.41) NOS3NOS1NOS2AGBL2PARP1
SCHEMBL7115171 0.77 PARP1 (0.37) NOS3NOS1NOS2PARP1L3MBTL1
SCHEMBL23708057 0.77

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-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GASHERBRUM BIO, INC. 2023-06-22 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-20230192633-A1 HETEROCYCLIC GLP-1 AGONISTS GLP1R, GIPR, GCGR NOS3 3283/4885NOS1 3100/4885NOS2 4490/4885

“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.