SCHEMBL6712779

SCHEMBL6712779

CC(C)(C)OC(=O)Nc1ccn([C@@H]2CC[C@@H](CC(=O)O)C[C@H]2NC(=O)OC(C)(C)C)c(=O)n1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ABL1 P00519 1/20 0.34
RIN1 Q13671 1/20 0.34
KDM1A O60341 2/20 0.34
MAOB P27338 2/20 0.34
ACACB O00763 4/20 0.33
ACACA Q13085 3/20 0.33
POLB P06746 1/20 0.33
PCSK9 Q8NBP7 1/20 0.33
CKS1B P61024 1/20 0.32
SKP1 P63208 1/20 0.32
SKP2 Q13309 1/20 0.32
MAOA P21397 1/20 0.32
SYK P43405 1/20 0.32
MAP3K5 Q99683 2/20 0.32

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
SCHEMBL6711549 0.88 KMT2A (0.35) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL6711555 0.88 KMT2A (0.35) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL6712778 0.79 ACACB (0.33) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL6710611 0.74 TK1 (0.38)
SCHEMBL4859530 0.74 TK1 (0.38)
SCHEMBL4859526 0.74 TK1 (0.38)
SCHEMBL6710613 0.74 TK1 (0.38)
SCHEMBL4859519 0.74 TK1 (0.38)
SCHEMBL6711454 0.73 KMT2A (0.33) DRD2KMT2AL3MBTL1KDM1AMAOB
SCHEMBL6711457 0.73 KMT2A (0.33) DRD2KMT2AL3MBTL1KDM1AMAOB

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-20040249152-A1 Method for the production of cna NANOGEN RECOGNOMICS GMBH (DE) 2004-12-09 US claimed
US-20040249152-A1 Method for the production of cna NANOGEN RECOGNOMICS GMBH (DE) 2004-12-09 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-20040249152-A1 Method for the production of cna RNGTT, COASY, CNOT7 DRD2 4231/4885KMT2A 1942/4885L3MBTL1 830/4885

“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.