SCHEMBL3070773

SCHEMBL3070773

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OC[C@@H](COc4ccccc4)OC)cc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.39
REN P00797 7/20 0.39
CYP3A4 P08684 2/20 0.37
CHRM1 P11229 2/20 0.36
MAPT P10636 3/20 0.35
TSHR P16473 1/20 0.35
PDE4B Q07343 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA5 P30532 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
OXTR P30559 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 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
SCHEMBL3071485 0.94 UTS2R (0.40) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3077558 0.92 UTS2R (0.42) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3072592 0.91 REN (0.41) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3083965 0.90 UTS2R (0.39) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3072557 0.90 REN (0.42) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3069812 0.90 UTS2R (0.43) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3065054 0.90 REN (0.41) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3085332 0.90 UTS2R (0.40) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3075980 0.89 UTS2R (0.42) UTS2RRENCYP3A4CHRM1MAPT
SCHEMBL3070243 0.88 UTS2R (0.43) UTS2RRENCHRM1MAPTTSHR

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 UTS2R 514/4885REN 1/4885CYP3A4 29/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 UTS2R 514/4885REN 1/4885CYP3A4 29/4885

“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.