SCHEMBL3587625

SCHEMBL3587625

Cn1ccc2cccc(NC(=O)C3(O)CCCCC3NC(=O)OC(C)(C)C)c2c1=O

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.33
OPRM1 P35372 2/20 0.33
OPRD1 P41143 2/20 0.33
OGFRL1 Q5TC84 2/20 0.33
OPRK1 P41145 1/20 0.32
KMT2A Q03164 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CCR1 P32246 1/20 0.31
CCKBR P32239 1/20 0.31
HSD11B1 P28845 1/20 0.30
DRD2 P14416 3/20 0.30
DRD3 P35462 1/20 0.30
KCNA3 P22001 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
SCHEMBL3580109 0.80 TYK2 (0.33) L3MBTL1
SCHEMBL3577828 0.78 MAPT (0.42) KMT2A
SCHEMBL3574051 0.76 MTNR1A (0.39)
SCHEMBL3581635 0.74 ADAM17 (0.36) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL3581356 0.74 ADAM17 (0.34) OPRM1OPRD1OGFRL1OPRK1
SCHEMBL4043888 0.70 JAK1 (0.34) KMT2AL3MBTL1
SCHEMBL3583797 0.68 JAK1 (0.35) CCR1
SCHEMBL5264535 0.68 KCNH2 (0.37) KMT2A
SCHEMBL5260906 0.66 CDK8 (0.41)
SCHEMBL5263242 0.66 KCNH2 (0.42)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100081650-A1 Antimicrobial Compounds AXTEN JEFFREY MICHAEL 2010-04-01 US disclosed
US-7622481-B2 Antibacterial compounds GLAXO GROUP LIMITED (GB) 2009-11-24 US disclosed
US-20060189604-A1 Compounds GLAXO GROUP LIMITED (GB) 2006-08-24 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 (2 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-20060189604-A1 Compounds ELANE, PIGS, SDHA CD274 2375/4885OPRM1 979/4885OPRD1 265/4885
US-20100081650-A1 Antimicrobial Compounds ELANE, NISCH, PIGS CD274 2908/4885OPRM1 1802/4885OPRD1 267/4885

“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.