SCHEMBL3070416

SCHEMBL3070416

COCCCN1CCOc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(Oc4ccccc4)cc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.37
REN P00797 7/20 0.35
BCL9 O00512 1/20 0.35
CTNNB1 P35222 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA5 P30532 1/20 0.35
CHRNA7 P36544 1/20 0.35
CHRNA4 P43681 1/20 0.35
GRM5 P41594 1/20 0.35
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
USP30 Q70CQ3 1/20 0.34
MMP9 P14780 3/20 0.33
MMP3 P08254 2/20 0.33
UTS2R Q9UKP6 1/20 0.33
MMP2 P08253 1/20 0.33
MMP8 P22894 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
SCHEMBL3072342 0.95 CHRNB2 (0.39) PDE4BRENCHRNB2CHRNA5CHRNA7
SCHEMBL3072664 0.95 GRM5 (0.40) PDE4BRENBCL9CTNNB1CHRNB2
SCHEMBL3068647 0.94 PDE4B (0.38) PDE4BRENGRM5NPC1RAB9A
SCHEMBL3072781 0.93 PDE4B (0.38) PDE4BRENGRM5NPC1RAB9A
SCHEMBL3078297 0.93 REN (0.38) PDE4BRENCHRNB2CHRNA5CHRNA7
SCHEMBL3065601 0.93 RORC (0.37) PDE4BRENGRM5TMEM97SIGMAR1
SCHEMBL3072480 0.93 REN (0.38) PDE4BRENCHRNB2CHRNA5CHRNA7
SCHEMBL3061482 0.93 PDE4B (0.37) PDE4BRENCHRNB2CHRNA5CHRNA7
SCHEMBL3071923 0.93 PDE4B (0.37) PDE4BRENNPC1RAB9ASMN1; SMN2
SCHEMBL3072222 0.93 PDE4B (0.37) PDE4BRENNPC1RAB9ASMN1; SMN2

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 PDE4B 312/4885REN 1/4885BCL9 4459/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885REN 1/4885BCL9 4459/4885

“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.