SCHEMBL4257545

SCHEMBL4257545

CC1=CC(=O)N(C2CCCCC2NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR2 P41597 2/20 0.38
▸ NFKB1 P19838 1/20 0.38
▸ NFKB2 Q00653 1/20 0.38
▸ RELA Q04206 1/20 0.38
▸ DRD2 P14416 2/20 0.37
▸ HDAC4 P56524 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ F2 P00734 1/20 0.36
▸ F10 P00742 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ CCR1 P32246 1/20 0.36
▸ CTSK P43235 2/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ PDE4B Q07343 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
SCHEMBL4257550 1.00 CCR2 (0.38) CCR2NFKB1NFKB2RELADRD2
SCHEMBL4257040 0.88 NFKB1 (0.39) CCR2NFKB1NFKB2RELAHDAC4
SCHEMBL4257036 0.88 NFKB1 (0.39) CCR2NFKB1NFKB2RELAHDAC4
SCHEMBL4259289 0.80 NFKB1 (0.41) CCR2NFKB1NFKB2RELAHDAC4
SCHEMBL4259293 0.80 NFKB1 (0.41) CCR2NFKB1NFKB2RELAHDAC4
SCHEMBL28380084 0.78 NFKB1 (0.38) CCR2NFKB1NFKB2RELACTSK
SCHEMBL28376416 0.75 CTSK (0.40) CCR2NFKB1NFKB2RELAHDAC4
SCHEMBL421148 0.74 CHRNA7 (0.53) CTSKCA1CA2
SCHEMBL421147 0.74 CHRNA7 (0.53) CTSKCA1CA2
SCHEMBL10153346 0.74 CHRNA7 (0.53) CTSKCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833782-B1 CYCLOALKYLAMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 — — EP disclosed
US-7411093-B2 Aminocycloalkanes as DPP-IV inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-08-12 — — US disclosed
EP-1833782-A1 CYCLOALKYLAMINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-19 — — EP disclosed
WO-2006066770-A1 CYCLOALKYLAMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO disclosed
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 — — 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-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors DPP4, DPP7, DPP3 CCR2 1496/4885NFKB1 2483/4885NFKB2 3023/4885

“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.

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