SCHEMBL6042349

SCHEMBL6042349

C1=C(c2ccc3ccccc3c2)CCN(Cc2ccccc2)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.59
DRD4 P21917 9/20 0.55
DRD2 P14416 7/20 0.55
KMT2A Q03164 3/20 0.54
HTT P42858 2/20 0.53
GAA P10253 1/20 0.53
MEN1 O00255 2/20 0.53
DRD3 P35462 7/20 0.52
HDAC4 P56524 1/20 0.52
NAMPT P43490 1/20 0.52
HTR1A P08908 4/20 0.50
HTR2A P28223 1/20 0.50

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
SCHEMBL7963190 0.91 MEN1 (0.53) SIGMAR1DRD4DRD2KMT2AGAA
SCHEMBL7964854 0.90 GAA (0.52) SIGMAR1DRD4DRD2KMT2AHTT
SCHEMBL7969931 0.87 MEN1 (0.65) SIGMAR1DRD4DRD2KMT2AGAA
SCHEMBL6585625 0.85 DRD4 (0.63) SIGMAR1DRD4DRD2KMT2AHTT
SCHEMBL2395932 0.85 DRD4 (0.67) SIGMAR1DRD4DRD2HTTGAA
SCHEMBL7970649 0.83 MEN1 (0.48) SIGMAR1DRD4DRD2KMT2AGAA
SCHEMBL2395803 0.82 LMNA (0.60) SIGMAR1DRD4DRD2KMT2AHTT
SCHEMBL10287534 0.82 SIGMAR1 (0.71) SIGMAR1DRD4DRD2HTTDRD3
SCHEMBL6924640 0.82 MEN1 (0.55) SIGMAR1DRD4DRD2KMT2AHTT
SCHEMBL29188191 0.82 DRD4 (0.67) SIGMAR1DRD4DRD2HTTGAA

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 8 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-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression SMITHKLINE BEECHAM CORPORATION 2004-04-22 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 (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 SIGMAR1 3885/4885DRD4 2414/4885DRD2 2550/4885
US-20040077654-A1 Aryl piperidine and piperazine derivatives as inducers of ldl-receptor expression LDLR, NR1H2, NCOR1 SIGMAR1 90/4885DRD4 1915/4885DRD2 1008/4885

“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.