SCHEMBL6043874

SCHEMBL6043874

OCCc1ccc(C2=CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.57
HDAC4 P56524 1/20 0.55
NAMPT P43490 1/20 0.55
DRD4 P21917 6/20 0.52
MAPK1 P28482 1/20 0.51
DRD2 P14416 6/20 0.50
DRD3 P35462 4/20 0.50
HTR1A P08908 2/20 0.50
HTT P42858 2/20 0.50
HTR2A P28223 1/20 0.50
S1PR1 P21453 1/20 0.49
S1PR3 Q99500 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
PARP1 P09874 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GAA P10253 1/20 0.47
HTR6 P50406 1/20 0.46

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
SCHEMBL6585625 0.85 DRD4 (0.63) SIGMAR1HDAC4NAMPTDRD4MAPK1
SCHEMBL2395932 0.85 DRD4 (0.67) SIGMAR1HDAC4NAMPTDRD4MAPK1
SCHEMBL29188191 0.85 DRD4 (0.67) SIGMAR1HDAC4NAMPTDRD4MAPK1
SCHEMBL17825435 0.84 SIGMAR1 (0.62) SIGMAR1HDAC4NAMPTDRD4MAPK1
SCHEMBL2395803 0.82 LMNA (0.60) SIGMAR1HDAC4NAMPTDRD4MAPK1
SCHEMBL10287534 0.82 SIGMAR1 (0.71) SIGMAR1HDAC4NAMPTDRD4DRD2
SCHEMBL2395917 0.81 MAPK1 (0.69) SIGMAR1HDAC4NAMPTDRD4MAPK1
SCHEMBL13959654 0.81 DRD4 (0.56) SIGMAR1HDAC4NAMPTDRD4MAPK1
SCHEMBL2392338 0.81 DRD4 (0.56) SIGMAR1HDAC4NAMPTDRD4MAPK1
SCHEMBL2582694 0.81 HDAC4 (0.58) SIGMAR1HDAC4NAMPTDRD4MAPK1

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
CN-1256326-C Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 2006-05-17 CN disclosed
US-20060079533-A1 Methods of treating alzheimer's disease NIEMAN JAMES A 2006-04-13 US disclosed
US-20040092737-A1 Benzopiperidine derivatives EISAI CO., LTD. 2004-05-13 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
US-6518423-B1 These compounds are useful as drugs efficacious in the prevention and treatment of these various inflammatory diseases and immunologic diseases, such as rheumatoid arthritis, atopic dermatitis, psoriasis, asthma, and EISAI CO., LTD. (JP) 2003-02-11 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
EP-0934941-A1 BENZOPIPERIDINE DERIVATIVES Eisai Co., Ltd. (JP) 1999-08-11 EP disclosed
CN-1202152-A Novel 4- (oxoxyphenyl) -3-oxopiperidines for the treatment of cardiac and renal insufficiency HOFFMANN LA ROCHE (CH) 1998-12-16 CN 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-20040092737-A1 Benzopiperidine derivatives HLA-DRB1, HRH1, HRH2 SIGMAR1 1579/4885HDAC4 1278/4885NAMPT 3813/4885
US-20060079533-A1 Methods of treating alzheimer's disease BACE1, PSEN1, PSEN2 SIGMAR1 3885/4885HDAC4 385/4885NAMPT 1110/4885

“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.