SCHEMBL3075834

SCHEMBL3075834

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(O[C@H]4CCN(c5ccccc5)C4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACACB O00763 3/20 0.37
PDE4B Q07343 1/20 0.36
PIK3CD O00329 11/20 0.36
PIK3CA P42336 11/20 0.36
FFAR4 Q5NUL3 3/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
REN P00797 1/20 0.33

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
SCHEMBL3060941 0.93 PDE4B (0.37) PDE4BTMEM97SIGMAR1REN
SCHEMBL3065172 0.91 PDE4B (0.38) PDE4BPIK3CDPIK3CATMEM97SIGMAR1
SCHEMBL3416983 0.91 PIK3CD (0.38) PDE4BPIK3CDPIK3CA
SCHEMBL3065167 0.90 PIK3CD (0.39) PDE4BPIK3CDPIK3CAREN
SCHEMBL3259922 0.90 PDE4B (0.38) PDE4BPIK3CDPIK3CATMEM97SIGMAR1
SCHEMBL3074536 0.90 PDE4B (0.38) PDE4BPIK3CDPIK3CATMEM97SIGMAR1
SCHEMBL3072342 0.90 CHRNB2 (0.39) PDE4BREN
SCHEMBL3073604 0.90 UTS2R (0.39) ACACBPDE4BFFAR4TMEM97SIGMAR1
SCHEMBL3078527 0.89 PDE4B (0.39) PDE4BTMEM97SIGMAR1
SCHEMBL3070416 0.89 PDE4B (0.37) PDE4BTMEM97SIGMAR1REN

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 ACACB 1761/4885PDE4B 312/4885PIK3CD 1296/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 ACACB 1761/4885PDE4B 312/4885PIK3CD 1296/4885

“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.