SCHEMBL3072342

SCHEMBL3072342

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.39
CHRNA5 P30532 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
GRM5 P41594 2/20 0.38
REN P00797 10/20 0.38
PDE4B Q07343 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
KDM1A O60341 2/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
YAP1 P46937 1/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 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
SCHEMBL3072664 0.99 GRM5 (0.40) CHRNB2CHRNA5CHRNA7CHRNA4GRM5
SCHEMBL3078297 0.96 REN (0.38) CHRNB2CHRNA5CHRNA7CHRNA4GRM5
SCHEMBL3072480 0.96 REN (0.38) CHRNB2CHRNA5CHRNA7CHRNA4GRM5
SCHEMBL3073189 0.95 REN (0.38) CHRNB2CHRNA5CHRNA7CHRNA4GRM5
SCHEMBL3070416 0.95 PDE4B (0.37) CHRNB2CHRNA5CHRNA7CHRNA4GRM5
SCHEMBL3065913 0.95 MAOB (0.38) CHRNB2CHRNA5CHRNA7CHRNA4GRM5
SCHEMBL3074775 0.95 REN (0.37) CHRNB2CHRNA5CHRNA7CHRNA4GRM5
SCHEMBL3077065 0.95 REN (0.37) CHRNB2CHRNA5CHRNA7CHRNA4GRM5
SCHEMBL3068647 0.94 PDE4B (0.38) GRM5RENPDE4BNPC1RAB9A
SCHEMBL3072781 0.94 PDE4B (0.38) GRM5RENPDE4BKDM4EALDH1A1

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 CHRNB2 3971/4885CHRNA5 3951/4885CHRNA7 4153/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 CHRNB2 3971/4885CHRNA5 3951/4885CHRNA7 4153/4885

“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.