SCHEMBL4301126

SCHEMBL4301126

COCCCOc1cc(O[C@@H](C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CN(C(=O)CC2CCOCC2)C2CC2)C(C)C)ccc1OC

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
REN P00797 17/20 0.44
CYP3A4 P08684 1/20 0.42
PDE4B Q07343 3/20 0.39

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
SCHEMBL4301124 1.00 REN (0.44) RENCYP3A4PDE4B
SCHEMBL4305357 1.00 REN (0.44) RENCYP3A4PDE4B
SCHEMBL3913702 0.90 PDE4B (0.40) RENCYP3A4PDE4B
SCHEMBL3912243 0.90 PDE4B (0.40) RENCYP3A4PDE4B
SCHEMBL3991486 0.90 PDE4B (0.40) RENCYP3A4PDE4B
SCHEMBL3991494 0.90 PDE4B (0.40) RENCYP3A4PDE4B
SCHEMBL4305822 0.90 PDE4B (0.40) RENCYP3A4PDE4B
SCHEMBL3912240 0.90 PDE4B (0.40) RENCYP3A4PDE4B
SCHEMBL3913872 0.88 REN (0.44) RENCYP3A4
SCHEMBL4310358 0.88 REN (0.44) 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-20090270417-A1 Organic Compounds NOVARTIS AG (CH) 2009-10-29 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-20090270417-A1 Organic Compounds REN, ACE, OTC REN 1/4885CYP3A4 173/4885PDE4B 619/4885

“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.