SCHEMBL3259291

SCHEMBL3259291

COCCCC(OC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCCCOCc2ccccc2OC)cc1)c1ccc2ccc(=O)[nH]c2c1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
REN P00797 15/20 0.52
PDE4B Q07343 1/20 0.38
DRD2 P14416 4/20 0.38
DRD4 P21917 4/20 0.38
DRD3 P35462 4/20 0.38
CYP3A4 P08684 1/20 0.37

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
SCHEMBL3070154 0.92 REN (0.54) RENDRD2DRD4DRD3CYP3A4
SCHEMBL3417113 0.91 REN (0.41) RENPDE4BCYP3A4
SCHEMBL3076941 0.87 REN (0.39) RENPDE4BCYP3A4
SCHEMBL3416611 0.87 REN (0.43) RENDRD2DRD4DRD3CYP3A4
SCHEMBL5561759 0.86 REN (0.53) RENCYP3A4
SCHEMBL3418212 0.85 REN (0.40) RENPDE4BCYP3A4
SCHEMBL3074494 0.84 REN (0.43) RENPDE4B
SCHEMBL5556849 0.83 REN (0.54) RENCYP3A4
SCHEMBL3080328 0.82 REN (0.43) RENCYP3A4
SCHEMBL3070106 0.81 DRD2 (0.39) RENPDE4BDRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7842688-B2 Organic compounds NOVARTIS PHARMA AG (CH) 2010-11-30 US disclosed
US-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 US disclosed
US-20090012055-A1 Organic compounds HEROLD PETER 2009-01-08 US disclosed
EP-1961752-A2 Piperidine Compounds Speedel Experimenta AG (CH) 2008-08-27 EP disclosed
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US disclosed
EP-1670760-A1 ORGANIC COMPOUNDS Speedel Experimenta AG (CH) 2006-06-21 EP disclosed
WO-2005061457-A1 ORGANIC COMPOUNDS SPEEDEL EXPERIMENTA AG (CH) 2005-07-07 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-20090012055-A1 Organic compounds REN, ACE, ACE2 REN 1/4885PDE4B 312/4885DRD2 425/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885PDE4B 312/4885DRD2 425/4885

“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.