SCHEMBL3065614

SCHEMBL3065614

CCOc1cccc(OCCOc2ccc(C3CCN(C(=O)OCc4ccccc4)CC3OCc3ccc4c(c3)N(CCCOC)CCO4)cc2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 9/20 0.37
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
MET P08581 1/20 0.35
GRM5 P41594 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
PDE4B Q07343 1/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 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
SCHEMBL3061273 0.96 MET (0.39) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3079226 0.93 UTS2R (0.38) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3072480 0.93 REN (0.38) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3072342 0.93 CHRNB2 (0.39) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3072664 0.93 GRM5 (0.40) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3078297 0.92 REN (0.38) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3073189 0.91 REN (0.38) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3070416 0.91 PDE4B (0.37) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3074775 0.91 REN (0.37) RENCHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3077065 0.91 REN (0.37) RENCHRNB2CHRNA5CHRNA7CHRNA4

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 1/4885CHRNB2 3971/4885CHRNA5 3951/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 REN 1/4885CHRNB2 3971/4885CHRNA5 3951/4885

“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.