SCHEMBL3418686

SCHEMBL3418686

COc1ccccc1COCCCOc1ccc(C2CCN(C(=O)OC(C)(C)C)CC2OCCOc2nc(C)nc(Cl)c2CCOS(=O)(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
REN P00797 13/20 0.36
ADAM17 P78536 2/20 0.35
GPR119 Q8TDV5 4/20 0.35
PDE4B Q07343 1/20 0.34

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
SCHEMBL3078857 0.93 REN (0.38) REN
SCHEMBL3072789 0.90 REN (0.40) RENPDE4B
SCHEMBL3065672 0.90 PDE4B (0.40) RENADAM17GPR119PDE4B
SCHEMBL3073211 0.89 REN (0.42) RENADAM17GPR119PDE4B
SCHEMBL3415043 0.88 PDE4B (0.40) RENADAM17GPR119PDE4B
SCHEMBL3072680 0.88 REN (0.43) RENPDE4B
SCHEMBL3076398 0.87 REN (0.39) RENPDE4B
SCHEMBL3069725 0.83 GPR119 (0.40) ADAM17GPR119PDE4B
SCHEMBL3070985 0.82 REN (0.37) RENADAM17GPR119PDE4B
SCHEMBL3080943 0.82 REN (0.42) REN

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 1/4885ADAM17 2276/4885GPR119 729/4885

“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.