SCHEMBL21608331

SCHEMBL21608331

Cc1cnc2c(c1N)OCCO2

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.36
NOS3 P29474 1/20 0.33
NOS1 P29475 1/20 0.33
NOS2 P35228 1/20 0.33
NSD2 O96028 1/20 0.30
CASP6 P55212 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
SCHEMBL16079385 0.80 ALDH1A1 (0.35)
SCHEMBL21608268 0.77 ACHE (0.36) ACHE
SCHEMBL26640695 0.69 ALDH1A1 (0.33)
SCHEMBL30648762 0.69 ALDH1A1 (0.33)
SCHEMBL15308536 0.68 CCR1 (0.35) NOS3NOS2
SCHEMBL16077531 0.68 ALDH1A1 (0.33)
SCHEMBL16079386 0.65 DGAT1 (0.32)
SCHEMBL25898842 0.64 NOS3 (0.35) NOS3NOS1NOS2
SCHEMBL3581102 0.64 NCF1 (0.32) ACHE
Hydrochloric Acid SCHEMBL3585467 0.63 NCF1 (0.31) ACHE

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-20210277003-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-09 US disclosed
WO-2019243535-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO 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-20210277003-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ACHE 84/4885NOS3 4202/4885NOS1 3993/4885

“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.