SCHEMBL1080236

SCHEMBL1080236

C[C@@H]1CCN[C@@H]1C(N)=O.[Ar]

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 1/20 0.43
EPHX1 P07099 1/20 0.39
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
KMT2A Q03164 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
CYP2D6 P10635 1/20 0.32
GLI1 P08151 1/20 0.32
MEN1 O00255 1/20 0.32
BLM P54132 1/20 0.32
ARG1 P05089 3/20 0.30
ARG2 P78540 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
SCHEMBL883229 0.98
SCHEMBL1073392 0.98
SCHEMBL1054734 0.98
SCHEMBL20040262 0.85 EPHX1 (0.47) SLC1A2EPHX1NOS3NOS1NOS2
SCHEMBL15173701 0.85 EPHX1 (0.47) SLC1A2EPHX1NOS3NOS1NOS2
SCHEMBL15173700 0.85 EPHX1 (0.47) SLC1A2EPHX1NOS3NOS1NOS2
SCHEMBL312743 0.77
SCHEMBL18771244 0.77
SCHEMBL21728725 0.77
SCHEMBL312745 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-20110003786-A1 2-Carboxamide Cycloamino Ureas NOVARTIS AG 2011-01-06 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-20110003786-A1 2-Carboxamide Cycloamino Ureas PIK3C3, PRKACA, UACA SLC1A2 3023/4885EPHX1 3358/4885NOS3 1278/4885

“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.