SCHEMBL3067190

SCHEMBL3067190

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(OC)c(F)c3)cc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 5/20 0.41
UTS2R Q9UKP6 1/20 0.40
REN P00797 2/20 0.38
CYP3A4 P08684 2/20 0.38
CHRM1 P11229 3/20 0.37
CHRM5 P08912 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM2 P08172 1/20 0.37
TSHR P16473 3/20 0.36
MAPT P10636 1/20 0.36
PTGDR2 Q9Y5Y4 3/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL3080341 0.94 PDE4B (0.41) PDE4BUTS2RCYP3A4CHRM1CHRM5
SCHEMBL3069812 0.90 UTS2R (0.43) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3071410 0.89 PDE4B (0.41) PDE4BCHRM1CHRM5CHRM3CHRM2
SCHEMBL3075980 0.89 UTS2R (0.42) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3077558 0.88 UTS2R (0.42) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3070243 0.88 UTS2R (0.43) PDE4BUTS2RRENCHRM1CHRM5
SCHEMBL3072592 0.87 REN (0.41) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3071485 0.86 UTS2R (0.40) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3083965 0.86 UTS2R (0.39) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3070773 0.86 UTS2R (0.39) PDE4BUTS2RRENCYP3A4CHRM1

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 312/4885UTS2R 514/4885REN 1/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 PDE4B 312/4885UTS2R 514/4885REN 1/4885

“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.