SCHEMBL3071666

SCHEMBL3071666

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

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
REN P00797 4/20 0.37
PDE4B Q07343 2/20 0.37
USP30 Q70CQ3 1/20 0.37
ALOX15 P16050 1/20 0.36
CHRNB2 P17787 2/20 0.35
CHRNA7 P36544 2/20 0.35
CHRNA4 P43681 2/20 0.35
CHRNA5 P30532 1/20 0.35
UTS2R Q9UKP6 1/20 0.34
HTT P42858 1/20 0.34
GPBAR1 Q8TDU6 1/20 0.34
PPARG P37231 2/20 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
SCHEMBL3061482 0.95 PDE4B (0.37) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3068647 0.94 PDE4B (0.38) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3072781 0.93 PDE4B (0.38) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3072664 0.93 GRM5 (0.40) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3072222 0.93 PDE4B (0.37) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3072342 0.93 CHRNB2 (0.39) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3071923 0.93 PDE4B (0.37) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3070875 0.92 PDE4B (0.37) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3070416 0.92 PDE4B (0.37) SMN1; SMN2NPC1RAB9ARENPDE4B
SCHEMBL3075213 0.91 PDE4B (0.37) SMN1; SMN2NPC1RAB9ARENPDE4B

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 SMN1; SMN2 4291/4885NPC1 794/4885RAB9A 1066/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 SMN1; SMN2 4291/4885NPC1 794/4885RAB9A 1066/4885

“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.