SCHEMBL1344231

SCHEMBL1344231

C=CCCN1CCN(C(=O)OC(C)(C)C)[C@H](COCc2ccccc2)C1=O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.41
PARP1 P09874 1/20 0.39
KLK7 P49862 1/20 0.37
PLA2G10 O15496 1/20 0.37
PLA2G5 P39877 1/20 0.37
ELANE P08246 5/20 0.37
STS P08842 1/20 0.37
NR1H2 P55055 2/20 0.36
NR1H3 Q13133 2/20 0.36
F2 P00734 1/20 0.36
CTSG P08311 1/20 0.36
MGLL Q99685 1/20 0.36
TEAD3 Q99594 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL1343847 1.00 FAAH (0.41) FAAHPARP1KLK7PLA2G10PLA2G5
SCHEMBL1343846 1.00 FAAH (0.41) FAAHPARP1KLK7PLA2G10PLA2G5
SCHEMBL1341573 0.91 PARP1 (0.40) PARP1KLK7PLA2G10PLA2G5STS
SCHEMBL1341574 0.91 PARP1 (0.40) PARP1KLK7PLA2G10PLA2G5STS
SCHEMBL1345008 0.91 PARP1 (0.40) PARP1KLK7PLA2G10PLA2G5STS
SCHEMBL1342920 0.83 NPC1 (0.41) PARP1KLK7TEAD3L3MBTL1
SCHEMBL1344901 0.83 NPC1 (0.41) PARP1KLK7TEAD3L3MBTL1
SCHEMBL1342916 0.83 NPC1 (0.41) PARP1KLK7TEAD3L3MBTL1
SCHEMBL1341565 0.76 FAAH (0.35) FAAHPLA2G10PLA2G5MGLL
SCHEMBL1343824 0.76 FAAH (0.35) FAAHPLA2G10PLA2G5MGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063042-B2 Heterocyclic compounds HOFFMANN-LA ROCHE INC. (US) 2011-11-22 US disclosed
EP-2220055-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-08-25 EP disclosed
US-20090023713-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE, INC. 2009-01-22 US disclosed
WO-2009010429-A2 NOVEL HETEROCYCLYL COMPOUNDS AND THEIR USE AS CHEMOKINE ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-22 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-20090023713-A1 HETEROCYCLIC COMPOUNDS CCR5, CCR3, CCR2 FAAH 2254/4885PARP1 1841/4885KLK7 3708/4885

“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.