SCHEMBL3079368

SCHEMBL3079368

COc1ccccc1OCCCOc1ccc(C2CCN(C(=O)O)CC2O)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MAPT P10636 1/20 0.46
PDE4B Q07343 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
PPARG P37231 1/20 0.45
PPARA Q07869 1/20 0.45
DRD3 P35462 2/20 0.42
DRD2 P14416 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 3/20 0.41
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 3/20 0.40
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3082346 0.98 LMNA (0.46) LMNAL3MBTL1MAPTPDE4BMEN1
SCHEMBL3072738 0.90 PPARG (0.45) L3MBTL1MEN1KMT2APPARGPPARA
SCHEMBL3077182 0.89 REN (0.48)
SCHEMBL3193386 0.89 RAB9A (0.45) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL3074223 0.88 HPGD (0.43) L3MBTL1MAPTMEN1KMT2APPARG
SCHEMBL3077026 0.88 PPARG (0.44) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL3073950 0.88 PDE4B (0.56) PDE4BMEN1KMT2AALDH1A1
SCHEMBL6041843 0.87 RAB9A (0.45) LMNAL3MBTL1MAPTMEN1KMT2A
SCHEMBL6041457 0.87 MEN1 (0.41) LMNAL3MBTL1MAPTPDE4BMEN1
SCHEMBL6043844 0.86 MEN1 (0.45) L3MBTL1MAPTMEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
US-6051712-A PREVENTION OF HIGH BLOOD PRESSURE AND CARDIAC INSUFFICIENCY, AS WELL AS GLAUCOMA, CARDIAC INFARCT, KIDNEY INSUFFICIENCY AND RESTENOSIS HOFFMANN-LA ROCHE INC. (US) 2000-04-18 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 (3 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-20090012055-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885L3MBTL1 4797/4885MAPT 2397/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 LMNA 3190/4885L3MBTL1 4797/4885MAPT 2397/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 LMNA 380/4885L3MBTL1 1516/4885MAPT 43/4885

“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.