SCHEMBL3070243

SCHEMBL3070243

COCCCN1C(=O)COc2ccc(COC3CN(C(=O)OCc4ccccc4)CCC3c3ccc(C(=O)OC)cc3)cc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.43
TSHR P16473 1/20 0.39
CHRM1 P11229 4/20 0.37
KCNH2 Q12809 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM5 P08912 1/20 0.37
DRD2 P14416 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2A P28223 1/20 0.37
ADRA1A P35348 1/20 0.37
HRH1 P35367 1/20 0.37
ADRA1B P35368 1/20 0.37
MCHR1 Q99705 1/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GPBAR1 Q8TDU6 1/20 0.37
REN P00797 2/20 0.37
PDE4B Q07343 1/20 0.37

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
SCHEMBL3075980 0.95 UTS2R (0.42) UTS2RTSHRCHRM1KCNH2CHRM2
SCHEMBL3069812 0.94 UTS2R (0.43) UTS2RTSHRCHRM1KCNH2CHRM2
SCHEMBL3077558 0.92 UTS2R (0.42) UTS2RTSHRCHRM1KCNH2CHRM2
SCHEMBL3070724 0.92 TSHR (0.42) TSHRCHRM1KCNH2RENMAPT
SCHEMBL3072592 0.90 REN (0.41) UTS2RTSHRCHRM1RENPDE4B
SCHEMBL3069871 0.89 UTS2R (0.41) UTS2RTSHRKCNH2GPBAR1REN
SCHEMBL3071666 0.89 SMN1; SMN2 (0.37) UTS2RNPC1RAB9ASMN1; SMN2GPBAR1
SCHEMBL3061303 0.89 UTS2R (0.41) UTS2RTSHRCHRM1RENPDE4B
SCHEMBL3071485 0.89 UTS2R (0.40) UTS2RTSHRCHRM1KCNH2CHRM2
SCHEMBL3085332 0.89 UTS2R (0.40) UTS2RTSHRCHRM1KCNH2CHRM2

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 3211/4885CHRM1 1675/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 UTS2R 514/4885TSHR 3211/4885CHRM1 1675/4885

“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.