SCHEMBL3079565

SCHEMBL3079565

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(O[C@H]4CCN(C5CCCCC5)C4)cc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 3/20 0.38
UTS2R Q9UKP6 1/20 0.38
REN P00797 2/20 0.35
CHRM2 P08172 3/20 0.34
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 2/20 0.33
ESR1 P03372 1/20 0.33
MAPT P10636 1/20 0.33
TP53 P04637 1/20 0.33
POLB P06746 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
TSHR P16473 1/20 0.33
TMEM97 Q5BJF2 2/20 0.32
SIGMAR1 Q99720 2/20 0.32
OXTR P30559 1/20 0.32

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
SCHEMBL3081046 1.00 PDE4B (0.38) PDE4BUTS2RRENCHRM2CYP3A4
SCHEMBL3074536 0.90 PDE4B (0.38) PDE4BRENCHRM2CHRM1HRH3
SCHEMBL3259922 0.90 PDE4B (0.38) PDE4BRENCHRM2CHRM1HRH3
SCHEMBL3073604 0.90 UTS2R (0.39) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3077667 0.90 UTS2R (0.38) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3061303 0.89 UTS2R (0.41) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3077558 0.88 UTS2R (0.42) PDE4BUTS2RRENCHRM2CYP3A4
SCHEMBL3074050 0.88 REN (0.40) PDE4BUTS2RRENCYP3A4
SCHEMBL3072475 0.87 UTS2R (0.38) PDE4BUTS2RRENCYP3A4CHRM1
SCHEMBL3069812 0.87 UTS2R (0.43) PDE4BUTS2RRENCHRM2CYP3A4

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 5 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

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.