SCHEMBL6042019

SCHEMBL6042019

CCCC1CN(Cc2ccccc2)CCC1=O

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 6/20 0.57
SIGMAR1 Q99720 2/20 0.45
DRD4 P21917 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2B Q13224 1/20 0.45
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 1/20 0.42
ABL1 P00519 1/20 0.42
RIN1 Q13671 1/20 0.42
KMT2A Q03164 1/20 0.42
MC4R P32245 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR5 Q9H228 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
SCHEMBL6042023 1.00 TACR1 (0.57) TACR1SIGMAR1DRD4GRIN1GRIN2B
SCHEMBL3545438 0.92 TACR1 (0.54) TACR1SIGMAR1GRIN1GRIN2BALDH1A1
SCHEMBL31193852 0.88 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL1339508 0.88 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL12488908 0.87 TACR1 (0.56) TACR1SIGMAR1DRD4GRIN1GRIN2B
Hydrochloric Acid SCHEMBL19946931 0.87 TACR1 (0.60) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL6041583 0.84 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL1618266 0.84 TACR1 (0.61) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL26934005 0.83 TACR1 (0.54) TACR1SIGMAR1GRIN1GRIN2BACHE
SCHEMBL28164936 0.82 TACR1 (0.59) TACR1SIGMAR1GRIN1GRIN2BACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
US-6608078-B2 Gramnegative bacteria WOCKHARDT LIMITED (IN) 2003-08-19 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
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment WOCKHARDT RESEARCH CENTER 2002-11-07 US disclosed
WO-2002076440-A2 METHODS OF TREATING ALZHEIMER'S DISEASE WITH PIPERIDIN DERIVATES ELAN PHARMACEUTICALS, INC. (US) 2002-10-03 WO disclosed
WO-2001085728-A2 ANTIBACTERIAL CHIRAL 8-(SUBSTITUTED PIPERIDINO)-BENZO [I, J] QUINOLIZINES, PROCESSES, COMPOSITIONS AND METHODS OF TREATMENT WOCKHARDT LIMITED (IN) 2001-11-15 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 (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-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 TACR1 508/4885SIGMAR1 3885/4885DRD4 2414/4885
US-20020165227-A1 Antibacterial chiral 8-(substituted piperidino)-benzo [i,j] quinolizines, processes, compositions and methods of treatment ALPI, POLR1C, POLI TACR1 2078/4885SIGMAR1 1561/4885DRD4 2762/4885

“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.