SCHEMBL3554449

SCHEMBL3554449

CCOC(=O)C1CN(c2ccc(OC)c(OC)c2)CCC1N

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 10/20 0.58
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 1/20 0.47
ATM Q13315 1/20 0.47
LGMN Q99538 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
PDE4A P27815 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.42

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
SCHEMBL3547549 0.79 PDE4B (0.44) DPP4CA12CA1CA2CA9
SCHEMBL5181144 0.79 CA12 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL3546960 0.79 CA12 (0.53) CA12CA1CA2CA9MEN1
SCHEMBL3548031 0.76 MEN1 (0.45) DPP4CA12CA1CA2CA9
SCHEMBL9830725 0.74 CA12 (0.46) DPP4CA12CA1CA2CA9
SCHEMBL27701704 0.74 DPP4 (1.00) DPP4
SCHEMBL27722416 0.74 DPP4 (1.00) DPP4
SCHEMBL27701702 0.74 DPP4 (1.00) DPP4
SCHEMBL18640280 0.73 LGMN (0.63) MEN1KMT2AALDH1A1ATMLGMN
Hydrochloric Acid SCHEMBL3549668 0.73 DPP4 (0.98) DPP4

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
US-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES BOEHRINGER MARKUS 2010-04-08 US disclosed
US-7683079-B2 4-aminopiperidine derivatives HOFFMANN-LA ROCHE INC. (US) 2010-03-23 US disclosed
EP-1831165-A1 4-AMINOPIPERIDINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2007-09-12 EP disclosed
WO-2006066747-A1 4-AMINOPIPERIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2006-06-29 WO disclosed
US-20060135561-A1 4-Aminopiperidine derivatives F. HOFFMANN-LA ROCHE AG, A SWISS COMPANY (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 (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-20100087485-A1 4-AMINOPIPERIDINE DERIVATIVES DPP4, GPR119, IAPP DPP4 1/4885CA12 4511/4885CA1 4027/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP DPP4 1/4885CA12 4511/4885CA1 4027/4885

“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.