SCHEMBL1038448

SCHEMBL1038448

COc1ccccc1COCCCOc1ccc([C@H]2[C@H](O)CN(C(=O)OCc3ccccc3)C[C@@H]2OCCOc2ccccc2CCNC(C)=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 19/20 0.44
CYP3A4 P08684 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 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
SCHEMBL3950404 0.92 REN (0.45) RENCYP3A4MTNR1AMTNR1B
SCHEMBL1037868 0.90 REN (0.41) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4583128 0.89 REN (0.41) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4593222 0.87 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4593223 0.87 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4593225 0.87 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4583827 0.86 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4583818 0.86 REN (0.43) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4582103 0.85 REN (0.41) RENCYP3A4MTNR1AMTNR1B
SCHEMBL4582108 0.85 REN (0.41) RENCYP3A4MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2049514-B1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2011-01-26 EP disclosed
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-1908762-A2 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP disclosed
EP-1908761-A1 Organic compounds Speedel Experimenta AG (CH) 2008-04-09 EP 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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 REN 29/4885CYP3A4 674/4885MTNR1A 1800/4885

“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.