SCHEMBL24478545

SCHEMBL24478545

CCc1cnc(C(C)C)cc1CCI

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ NOS3 P29474 1/20 0.33
▸ NOS1 P29475 1/20 0.33
▸ NOS2 P35228 1/20 0.33

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
SCHEMBL24759678 0.85 NOS3 (0.39) NOS3NOS1NOS2
SCHEMBL22628155 0.79 DHFR (0.35) NOS3NOS1NOS2
SCHEMBL19508069 0.76 P2RX3 (0.35) NOS3NOS1NOS2
SCHEMBL21076527 0.75 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL22725611 0.75 GABRP (0.37) —
SCHEMBL24730694 0.74 NOS3 (0.37) NOS3NOS1NOS2
SCHEMBL23231054 0.74 NOS3 (0.41) NOS3NOS1NOS2
SCHEMBL12749938 0.74 NOS3 (0.55) NOS3NOS1NOS2
SCHEMBL12749937 0.73 NOS3 (0.36) NOS3NOS1NOS2
SCHEMBL12749936 0.73 NOS3 (0.36) NOS3NOS1NOS2

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-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 — — 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-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL NOS3 3249/4885NOS1 3235/4885NOS2 2848/4885

“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.

Send feedback