SCHEMBL3416611

SCHEMBL3416611

COCCCC(OC1CN(C(=O)OC(C)(C)C)CCC1c1ccc(OCCCOCc2ccccc2OC)cc1)c1ccc2c(c1)NC(=O)CC2

nearest known ligand 0.43

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.43
CYP3A4 P08684 4/20 0.40
DRD2 P14416 8/20 0.40
DRD3 P35462 7/20 0.40
DRD4 P21917 6/20 0.40

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
SCHEMBL3070106 0.94 DRD2 (0.39) RENCYP3A4DRD2DRD3DRD4
SCHEMBL3082083 0.94 DRD2 (0.37) RENCYP3A4DRD2DRD3DRD4
SCHEMBL3417423 0.93 DRD2 (0.42) DRD2DRD3DRD4
SCHEMBL3418655 0.92 DRD2 (0.40) DRD2DRD3DRD4
SCHEMBL3072935 0.92 REN (0.45) RENCYP3A4DRD2DRD3DRD4
SCHEMBL5561759 0.92 REN (0.53) RENCYP3A4
SCHEMBL3073737 0.92 DRD2 (0.39) DRD2DRD3DRD4
SCHEMBL3259421 0.91 DRD2 (0.41) DRD2DRD3DRD4
SCHEMBL3420106 0.91 DRD2 (0.39) RENDRD2DRD3DRD4
SCHEMBL3076941 0.91 REN (0.39) RENCYP3A4

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 5 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-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
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 (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-20090012055-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CYP3A4 29/4885DRD2 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.