SCHEMBL3950404

SCHEMBL3950404

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

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 16/20 0.45
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
CYP3A4 P08684 1/20 0.42

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
SCHEMBL1038448 0.92 REN (0.44) RENMTNR1AMTNR1BCYP3A4
SCHEMBL4593225 0.91 REN (0.43) RENMTNR1AMTNR1BCYP3A4
SCHEMBL4593222 0.91 REN (0.43) RENMTNR1AMTNR1BCYP3A4
SCHEMBL4593223 0.91 REN (0.43) RENMTNR1AMTNR1BCYP3A4
SCHEMBL4583818 0.90 REN (0.43) RENMTNR1AMTNR1BCYP3A4
SCHEMBL4583827 0.90 REN (0.43) RENMTNR1AMTNR1BCYP3A4
SCHEMBL3944733 0.89 REN (0.42) RENMTNR1AMTNR1BCYP3A4
SCHEMBL4582103 0.89 REN (0.41) RENMTNR1AMTNR1BCYP3A4
SCHEMBL4583128 0.89 REN (0.41) RENMTNR1AMTNR1BCYP3A4
SCHEMBL4582108 0.89 REN (0.41) RENMTNR1AMTNR1BCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOVARTIS AG (CH) 2009-12-31 US disclosed
EP-2049514-A1 NITRATE ESTERS OF PIPERIDINES Speedel Experimenta AG (CH) 2009-04-22 EP disclosed
WO-2008017685-A1 NITRATE ESTERS OF PIPERIDINES SPEEDEL EXPERIMENTA AG (CH) 2008-02-14 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-20090325947-A1 NITRATE ESTERS OF PIPERIDINES NOS2, NOS1, NOS3 REN 29/4885MTNR1A 1800/4885MTNR1B 1337/4885

“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.