SCHEMBL4537595

SCHEMBL4537595

COCCCC(O[C@H]1CN(C(=O)O)C[C@@H](O)[C@@H]1c1ccc(OCCCOCc2ccccc2OC)cc1)c1ccc2c(c1)NCC2(C)C

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
REN P00797 20/20 0.39
CYP3A4 P08684 3/20 0.36

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
SCHEMBL4582711 0.93 REN (0.39) REN
SCHEMBL4584771 0.93 REN (0.38) RENCYP3A4
SCHEMBL4583042 0.92 REN (0.37) RENCYP3A4
SCHEMBL4526400 0.91 REN (0.39) RENCYP3A4
SCHEMBL4583869 0.91 REN (0.37) RENCYP3A4
SCHEMBL4583266 0.91 REN (0.37) RENCYP3A4
SCHEMBL4582659 0.90 REN (0.36) RENCYP3A4
SCHEMBL4584098 0.88 REN (0.46) RENCYP3A4
SCHEMBL4582823 0.85 REN (0.38) RENCYP3A4
SCHEMBL3074966 0.84 REN (0.42) 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 1 patent. 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

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 674/4885

“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.