SCHEMBL3081059

SCHEMBL3081059

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OC(C)(C)C)CCC3c3ccc(C(=O)N4CCC(c5ccccc5)CC4)cc3)cc21

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 6/20 0.42
TACR1 P25103 1/20 0.37
TSHR P16473 1/20 0.35
NPC1L1 Q9UHC9 1/20 0.35
HSD11B1 P28845 1/20 0.34
LIPE Q05469 1/20 0.34
TP53 P04637 1/20 0.34
REN P00797 1/20 0.34
NAMPT P43490 1/20 0.34
KMT2A Q03164 1/20 0.34
SYK P43405 1/20 0.34
TPSAB1 Q15661 1/20 0.33
CNR2 P34972 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
SCHEMBL3414795 0.92 UTS2R (0.40) UTS2RTSHRHSD11B1LIPETP53
SCHEMBL3065714 0.91 UTS2R (0.40) UTS2RTACR1TSHRTP53REN
SCHEMBL3069871 0.90 UTS2R (0.41) UTS2RTSHRTP53REN
SCHEMBL3416348 0.89 UTS2R (0.40) UTS2RTSHRTP53RENKMT2A
SCHEMBL3083196 0.89 REN (0.43) UTS2RTACR1TSHRREN
SCHEMBL13030648 0.86 REN (0.43) UTS2RREN
SCHEMBL3073347 0.85 REN (0.46) UTS2RTSHRREN
SCHEMBL3077667 0.84 UTS2R (0.38) UTS2RREN
SCHEMBL3072475 0.84 UTS2R (0.38) UTS2RTSHRREN
SCHEMBL3070229 0.84 REN (0.41) UTS2RTSHRREN

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 514/4885TACR1 93/4885TSHR 3211/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 UTS2R 514/4885TACR1 93/4885TSHR 3211/4885

“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.