SCHEMBL6041614

SCHEMBL6041614

C1=C(c2ccc3c4c(cccc24)CC3)CCN(Cc2ccccc2)C1

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 9/20 0.58
HTR1A P08908 6/20 0.58
HTR2A P28223 3/20 0.58
HTT P42858 1/20 0.58
HTR6 P50406 3/20 0.51
OPRM1 P35372 1/20 0.50
OPRK1 P41145 1/20 0.50
NAMPT P43490 1/20 0.46
DRD4 P21917 4/20 0.46
DRD3 P35462 3/20 0.46
PARP1 P09874 1/20 0.44

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
SCHEMBL6042752 0.82 DRD2 (0.63) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL1719798 0.75 DRD2 (0.76) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL2395932 0.75 DRD4 (0.67) DRD2HTR1AHTR2AHTTNAMPT
SCHEMBL6707943 0.73 DRD2 (0.59) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL7543848 0.73 HTR1A (1.00) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL6043002 0.73 DRD2 (0.59) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL2395487 0.73 DRD2 (0.59) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL6075980 0.73 DRD2 (0.58) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL11437532 0.73 DRD2 (0.55) DRD2HTR1AHTR2AHTTHTR6
SCHEMBL11784970 0.72 HTR6 (0.65) DRD2HTR1AHTR2AHTTHTR6

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 6 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
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-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 (1 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 DRD2 2550/4885HTR1A 1397/4885HTR2A 1428/4885

“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.