SCHEMBL1644831

SCHEMBL1644831

CC1=CC(=O)N([C@@H]2CCCC[C@H]2N)CC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.33
▸ BMPR1A P36894 1/20 0.31
▸ ACVRL1 P37023 1/20 0.31
▸ ACVR1 Q04771 1/20 0.31
▸ NOS3 P29474 1/20 0.31
▸ NOS2 P35228 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
SCHEMBL1644830 1.00 KDM4E (0.33) KDM4EBMPR1AACVRL1ACVR1NOS3
SCHEMBL1644660 0.83 KAT2B (0.31) —
SCHEMBL4260948 0.83 KAT2B (0.31) —
SCHEMBL1646850 0.71 THRB (0.31) —
SCHEMBL1646851 0.71 THRB (0.31) —
SCHEMBL4257545 0.69 CCR2 (0.38) KDM4E
SCHEMBL1643687 0.67 DPP4 (0.43) —
Hydrochloric Acid SCHEMBL20959120 0.67 DPP4 (0.41) —
SCHEMBL1643686 0.67 DPP4 (0.43) —
SCHEMBL20959491 0.66 PDE7A (0.32) —

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 KDM4E 839/4885BMPR1A 736/4885ACVRL1 1339/4885

“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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