SCHEMBL1646851

SCHEMBL1646851

N[C@@H]1CCCC[C@H]1N1CCC=CC1=O

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL1646850 1.00 THRB (0.31) THRBMEN1KMT2A
SCHEMBL1644830 0.71 KDM4E (0.33) —
SCHEMBL1644831 0.71 KDM4E (0.33) —
SCHEMBL27194674 0.68 NOS1 (0.39) MEN1KMT2A
SCHEMBL6966920 0.68 TP53 (0.38) THRBMEN1KMT2A
SCHEMBL1643687 0.67 DPP4 (0.43) —
SCHEMBL1643686 0.67 DPP4 (0.43) —
Hydrochloric Acid SCHEMBL20959120 0.67 DPP4 (0.41) —
SCHEMBL1644660 0.67 KAT2B (0.31) THRBMEN1KMT2A
SCHEMBL4260948 0.67 KAT2B (0.31) THRBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4666533-B2 — — 2011-04-06 — — JP claimed
EP-1833782-B1 CYCLOALKYLAMINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2009-04-08 — — EP claimed
US-7411093-B2 Aminocycloalkanes as DPP-IV inhibitors HOFFMAN-LA ROCHE INC. (US) 2008-08-12 — — US claimed
JP-2008524279-A — — 2008-07-10 — — JP claimed
CN-101084184-A Cycloalkylamine derivative HOFFMANN LA ROCHE (CH) 2007-12-05 — — CN claimed
EP-1833782-A1 CYCLOALKYLAMINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-19 — — EP claimed
WO-2006066770-A1 CYCLOALKYLAMINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2006-06-29 — — WO claimed
US-20060135512-A1 Aminocycloalkanes as DPP-IV inhibitors F. HOFFMANN-LA ROCHE AG (CH) 2006-06-22 — — US claimed
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
CN-101084184-A Cycloalkylamine derivative HOFFMANN LA ROCHE (CH) 2007-12-05 — — CN 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 THRB 1483/4885MEN1 3869/4885KMT2A 2494/4885

“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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