SCHEMBL3077667

SCHEMBL3077667

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 5/20 0.38
YAP1 P46937 2/20 0.36
PDE4B Q07343 2/20 0.36
S1PR3 Q99500 1/20 0.36
REN P00797 2/20 0.35
USP30 Q70CQ3 1/20 0.35
CYP3A4 P08684 1/20 0.34
CHRM1 P11229 1/20 0.34
MAPT P10636 1/20 0.34
ESR1 P03372 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
SCHEMBL3072475 0.98 UTS2R (0.38) UTS2RYAP1PDE4BRENUSP30
SCHEMBL3073604 0.91 UTS2R (0.39) UTS2RPDE4BRENCYP3A4CHRM1
SCHEMBL3061303 0.90 UTS2R (0.41) UTS2RPDE4BRENCYP3A4CHRM1
SCHEMBL3081046 0.90 PDE4B (0.38) UTS2RPDE4BRENCYP3A4CHRM1
SCHEMBL3079565 0.90 PDE4B (0.38) UTS2RPDE4BRENCYP3A4CHRM1
SCHEMBL3083196 0.89 REN (0.43) UTS2RYAP1PDE4BRENCYP3A4
SCHEMBL3077558 0.89 UTS2R (0.42) UTS2RPDE4BRENCYP3A4CHRM1
SCHEMBL3074050 0.89 REN (0.40) UTS2RPDE4BRENCYP3A4
SCHEMBL3069812 0.88 UTS2R (0.43) UTS2RPDE4BRENCYP3A4CHRM1
SCHEMBL3081461 0.88 UTS2R (0.40) UTS2RYAP1PDE4BRENCYP3A4

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 UTS2R 514/4885YAP1 916/4885PDE4B 312/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 UTS2R 514/4885YAP1 916/4885PDE4B 312/4885

“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.