SCHEMBL3065601

SCHEMBL3065601

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OC(C)C)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RORC P51449 5/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
REN P00797 6/20 0.36
PDE4B Q07343 1/20 0.36
GRM5 P41594 1/20 0.34
PPARG P37231 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR2A P28223 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
SCHEMBL3075213 0.93 PDE4B (0.37) RENPDE4BPPARGTMEM97SIGMAR1
SCHEMBL3072342 0.93 CHRNB2 (0.39) LMNARENPDE4BGRM5
SCHEMBL3070416 0.93 PDE4B (0.37) RENPDE4BGRM5TMEM97SIGMAR1
SCHEMBL3072664 0.92 GRM5 (0.40) LMNARENPDE4BGRM5TMEM97
SCHEMBL3068647 0.92 PDE4B (0.38) RENPDE4BGRM5TMEM97SIGMAR1
SCHEMBL3072781 0.91 PDE4B (0.38) MAPTRENPDE4BGRM5TMEM97
SCHEMBL3078297 0.91 REN (0.38) LMNARENPDE4BGRM5
SCHEMBL3072480 0.91 REN (0.38) LMNARENPDE4BGRM5
SCHEMBL3061482 0.91 PDE4B (0.37) RENPDE4BPPARGTMEM97SIGMAR1
SCHEMBL3072222 0.91 PDE4B (0.37) RENPDE4BTMEM97SIGMAR1

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 RORC 1685/4885LMNA 3190/4885TP53 3631/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 RORC 1685/4885LMNA 3190/4885TP53 3631/4885

“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.