SCHEMBL3072664

SCHEMBL3072664

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(COc4ccccc4)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
PDE4B Q07343 1/20 0.37
REN P00797 10/20 0.37
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
BCL9 O00512 1/20 0.34
CTNNB1 P35222 1/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL3072342 0.99 CHRNB2 (0.39) GRM5CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3070416 0.95 PDE4B (0.37) GRM5CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3072480 0.95 REN (0.38) GRM5CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3078297 0.95 REN (0.38) GRM5CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3068647 0.94 PDE4B (0.38) GRM5PDE4BRENNPC1RAB9A
SCHEMBL3073189 0.94 REN (0.38) GRM5CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3072781 0.94 PDE4B (0.38) GRM5PDE4BRENKDM4EALDH1A1
SCHEMBL3081428 0.94 CHRNB2 (0.35) GRM5CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3061273 0.94 MET (0.39) GRM5CHRNB2CHRNA5CHRNA7CHRNA4
SCHEMBL3065913 0.94 MAOB (0.38) GRM5CHRNB2CHRNA5CHRNA7CHRNA4

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 GRM5 2020/4885CHRNB2 3971/4885CHRNA5 3951/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 GRM5 2020/4885CHRNB2 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.