SCHEMBL3193386

SCHEMBL3193386

O=C(O)N1CCC(c2ccc(OCCCOc3ccccc3)cc2)C(O)C1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.45
NPC1 O15118 5/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
TEAD1 P28347 1/20 0.44
TEAD3 Q99594 1/20 0.44
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 5/20 0.43
HPGD P15428 3/20 0.43
TSHR P16473 2/20 0.43
S1PR1 P21453 1/20 0.42
MAPT P10636 4/20 0.41
GAA P10253 2/20 0.41
HTT P42858 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL6041843 0.98 RAB9A (0.45) RAB9ANPC1MEN1KMT2ATEAD1
SCHEMBL6043844 0.96 MEN1 (0.45) RAB9ANPC1MEN1KMT2ATEAD1
SCHEMBL6041364 0.91 KDM4E (0.46) RAB9ANPC1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6042975 0.91 S1PR1 (0.53) ALDH1A1S1PR1KDM4ELMNAKDM1A
SCHEMBL3066821 0.91 SMN1; SMN2 (0.47) RAB9AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL6041689 0.90 S1PR1 (0.50) RAB9ANPC1ALDH1A1S1PR1HTT
SCHEMBL3085349 0.89 KMT2A (0.50) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3072738 0.89 PPARG (0.45) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3079368 0.89 LMNA (0.46) RAB9ANPC1MEN1KMT2AALDH1A1
SCHEMBL3074223 0.89 HPGD (0.43) RAB9ANPC1MEN1KMT2AALDH1A1

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 12 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
EP-0863875-B1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY HOFFMANN LA ROCHE (CH) 2003-06-04 EP 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
EP-0863875-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1998-09-16 EP disclosed
WO-1997009311-A1 NEW 4-(OXYALKOXYPHENYL)-3-OXY-PIPERIDINES FOR TREATING HEART AND KIDNEY INSUFFICIENCY F. HOFFMANN-LA ROCHE AG (CH) 1997-03-13 WO 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 RAB9A 1066/4885NPC1 794/4885MEN1 2817/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 RAB9A 1066/4885NPC1 794/4885MEN1 2817/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 RAB9A 1698/4885NPC1 418/4885MEN1 2561/4885

“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.