SCHEMBL556394

SCHEMBL556394

O=C1CCN(Cc2ccccc2)CC1COC(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 9/20 0.51
SIGMAR1 Q99720 2/20 0.40
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
CHRM3 P20309 1/20 0.40
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SLC6A1 P30531 1/20 0.38

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
SCHEMBL6041977 1.00 TACR1 (0.51) TACR1SIGMAR1GRIN1GRIN2BCHRM3
SCHEMBL13674458 0.79 TACR1 (0.52) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL6041583 0.78 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL1618266 0.78 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL6340896 0.77 TACR1 (0.48) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL31193852 0.77 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL5870998 0.77 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL1339508 0.77 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL28164936 0.77 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BCYP1A2
SCHEMBL24575781 0.77 TACR1 (0.50) TACR1SIGMAR1GRIN1GRIN2BCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120035214-A1 RENIN INHIBITORS MERCK CANADA INC. (CA) 2012-02-09 US disclosed
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
US-7625893-B2 Substituted 4-phenyl piperidines for use as renin inhibitors SPEEDEL EXPERIMENTA AG (CH) 2009-12-01 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
US-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors SPEEDEL EXPERIMENTA AG 2009-04-02 US disclosed
EP-1934207-B1 SUBSTITUTED 4-PHENYL PIPERIDINES FOR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2009-03-11 EP disclosed
EP-1934207-A1 SUBSTITUTED 4-PHENYL PIPERIDINES FOR USE AS RENIN INHIBITORS Speedel Experimenta AG (CH) 2008-06-25 EP disclosed
EP-1911758-A1 Phenyl piperidine derivatives for use as renin inhibitors Speedel Experimenta AG (CH) 2008-04-16 EP disclosed
WO-2008040764-A1 SUBSTITUTED 4-PHENYL PIPERIDINES FOR USE AS RENIN INHIBITORS SPEEDEL EXPERIMENTA AG (CH) 2008-04-10 WO disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 WO 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 (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-20090088426-A1 Substituted 4-Phenyl Piperidines for Use as Renin Inhibitors REN, AGTR1, ACE TACR1 14/4885SIGMAR1 642/4885GRIN1 1010/4885
US-20120035214-A1 RENIN INHIBITORS REN, ACE, AGTR1 TACR1 205/4885SIGMAR1 3636/4885GRIN1 2413/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 TACR1 508/4885SIGMAR1 3885/4885GRIN1 113/4885
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 TACR1 148/4885SIGMAR1 187/4885GRIN1 521/4885

“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.