SCHEMBL3069362

SCHEMBL3069362

COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.49
REN P00797 16/20 0.45
GPR119 Q8TDV5 2/20 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
SCHEMBL4603467 1.00 PDE4B (0.49) PDE4BRENGPR119
SCHEMBL5778929 0.91 PDE4B (0.48) PDE4BRENGPR119
SCHEMBL3073950 0.90 PDE4B (0.56) PDE4BGPR119
SCHEMBL3087402 0.89 PDE4B (0.44) PDE4BGPR119
SCHEMBL6041856 0.89 PDE4B (0.51) PDE4BREN
SCHEMBL3077182 0.89 REN (0.48) REN
SCHEMBL3065750 0.89 PDE4B (0.54) PDE4BGPR119
SCHEMBL3065220 0.88 REN (0.46) PDE4BREN
SCHEMBL3066626 0.87 REN (0.49) PDE4BREN
SCHEMBL3081972 0.87 PDE4B (0.47) PDE4BREN

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 19 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
EP-1180103-B1 RENIN INHIBITORS HOFFMANN LA ROCHE (CH) 2007-05-30 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
WO-2004089903-A9 PIPERIDINE DERIVATIVES AS RENIN INHIBITORS FOR THE TREATMENT OF HYPERTENSION WARNER LAMBERT CO (US) 2005-10-27 WO disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 WO disclosed
US-20040204455-A1 Piperidine derivative rennin inhibitors WARNER-LAMBERT COMPANY LLC 2004-10-14 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
EP-1180103-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-02-20 EP disclosed
US-6197959-B1 CARDIOVASCULAR AND KIDNEY DISORDERS; RESTENOSIS, GLAUCOMA; HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. 2001-03-06 US disclosed
US-6150526-A Piperidine derivative having renin inhibiting activity HOFFMANN-LA ROCHE INC. (US) 2000-11-21 US disclosed
WO-2000064887-A1 RENIN INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2000-11-02 WO 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 (4 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 PDE4B 312/4885REN 1/4885GPR119 729/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885REN 1/4885GPR119 729/4885
US-20040204455-A1 Piperidine derivative rennin inhibitors REN, ACE, HPN PDE4B 214/4885REN 1/4885GPR119 463/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 PDE4B 594/4885REN 1485/4885GPR119 856/4885

“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.