SCHEMBL3548031

SCHEMBL3548031

CCOC(=O)C1CN(c2ccc(OC)c(OC)c2)CCC1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
ALDH1A1 P00352 2/20 0.45
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
DPP4 P27487 4/20 0.43
PDE4B Q07343 2/20 0.43
PDE4A P27815 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 1/20 0.43
POLB P06746 2/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.41

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
SCHEMBL9830725 0.88 CA12 (0.46) MEN1KMT2AALDH1A1ATML3MBTL1
SCHEMBL10689619 0.85 ALDH1A1 (0.42) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL10687043 0.85 ALDH1A1 (0.51) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL8912051 0.83 ALDH1A1 (0.44) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL31067226 0.80 LMNA (0.43) ALDH1A1LMNAMAPTPOLBHTT
SCHEMBL11846643 0.78 LIPE (0.42) MEN1KMT2AALDH1A1KDM4ELMNA
SCHEMBL3554449 0.76 DPP4 (0.58) MEN1KMT2AALDH1A1ATML3MBTL1
SCHEMBL10408118 0.75 KDM4E (0.43) MEN1KMT2AALDH1A1L3MBTL1KDM4E
SCHEMBL9830351 0.75 KDM4E (0.54) MEN1KMT2AALDH1A1ATMKDM4E
SCHEMBL7332808 0.75 ALDH1A1 (0.52) ALDH1A1

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 MEN1 3888/4885KMT2A 1871/4885ALDH1A1 199/4885
US-20060135561-A1 4-Aminopiperidine derivatives DPP4, GPR119, IAPP MEN1 3888/4885KMT2A 1871/4885ALDH1A1 199/4885

“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.