SCHEMBL3065714

SCHEMBL3065714

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(C(=O)O)cc3)cc21

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.40
TSHR P16473 1/20 0.38
REN P00797 2/20 0.36
TP53 P04637 2/20 0.35
POLB P06746 2/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
TACR1 P25103 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GPR119 Q8TDV5 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
SCHEMBL3069871 0.94 UTS2R (0.41) UTS2RTSHRRENTP53POLB
SCHEMBL3416348 0.94 UTS2R (0.40) UTS2RTSHRRENTP53POLB
SCHEMBL3075058 0.92 TSHR (0.41) TSHRRENTP53POLBMAPT
SCHEMBL3081059 0.91 UTS2R (0.42) UTS2RTSHRRENTP53TACR1
SCHEMBL3083196 0.91 REN (0.43) UTS2RTSHRRENMAPTTACR1
SCHEMBL3075980 0.90 UTS2R (0.42) UTS2RTSHRRENMAPTMEN1
SCHEMBL3070229 0.89 REN (0.41) UTS2RTSHRRENGPR119
SCHEMBL3078201 0.88 REN (0.42) UTS2RTSHRRENTP53POLB
SCHEMBL3074149 0.88 REN (0.39) UTS2RTSHRRENGPR119
SCHEMBL3070724 0.87 TSHR (0.42) TSHRRENTP53POLBMAPT

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 514/4885TSHR 3211/4885REN 1/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 UTS2R 514/4885TSHR 3211/4885REN 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.