SCHEMBL22256378

SCHEMBL22256378

CC(C)(C)OC(=O)C[C@@H](N)CN=[N+]=[N-]

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
NOS1 P29475 2/20 0.31
NOS3 P29474 1/20 0.31
NOS2 P35228 1/20 0.31

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
SCHEMBL31301962 0.78 CYP2D6 (0.44) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL14089353 0.77 CYP2D6 (0.38) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL16726823 0.77 CYP2D6 (0.35) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL31295342 0.76 CYP2D6 (0.47) CYP2D6
SCHEMBL15074960 0.76 CYP2D6 (0.47) CYP2D6
SCHEMBL29914609 0.74 CYP2D6 (0.35) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL852985 0.73 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL15485863 0.73 GABRR1 (0.32)
SCHEMBL2801119 0.73 CYP2D6 (0.41) CYP2D6HDAC3HDAC1HDAC2HDAC8
SCHEMBL21456964 0.73 GABRR1 (0.32)

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-20200230249-A1 PEPTIDE-OLIGOUREA HYBRID COMPOUNDS UREKA SARL (FR) 2020-07-23 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-20200230249-A1 PEPTIDE-OLIGOUREA HYBRID COMPOUNDS IAPP, NGLY1, NPPA CYP2D6 4766/4885HDAC3 4800/4885HDAC1 4803/4885

“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.