SCHEMBL3074845

SCHEMBL3074845

COCCCOc1cccc(COC2CN(C(=O)OC(C)(C)C)CCC2c2ccc(OCCCOCc3ccccc3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
REN P00797 12/20 0.46
PDE4B Q07343 1/20 0.45
YAP1 P46937 3/20 0.44
PRMT5 O14744 1/20 0.40
TACR1 P25103 1/20 0.40
KIT P10721 1/20 0.40
FLT3 P36888 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
SCHEMBL3074847 0.97 PDE4B (0.47) RENPDE4BYAP1PRMT5TACR1
SCHEMBL6957871 0.85 REN (0.53) RENYAP1
SCHEMBL6044011 0.85 REN (0.50) REN
SCHEMBL6952294 0.84 REN (0.49) RENYAP1
SCHEMBL3077432 0.84 REN (0.50) RENPDE4B
SCHEMBL6954945 0.83 REN (0.46) RENPDE4B
SCHEMBL7080920 0.83 REN (0.55) RENPDE4BYAP1PRMT5TACR1
Iodide SCHEMBL6044114 0.83 REN (0.48) RENYAP1
SCHEMBL3083111 0.83 REN (0.51) RENPDE4B
SCHEMBL3073916 0.83 REN (0.51) RENPDE4B

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 7 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-7790715-B2 Organic compounds NOVARTIS AG (CH) 2010-09-07 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
US-20070010511-A1 Organic compounds NOVARTIS PHARMA AG (CH) 2007-01-11 US 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 (2 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 1/4885PDE4B 312/4885YAP1 916/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885PDE4B 312/4885YAP1 916/4885

“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.