SCHEMBL3085332

SCHEMBL3085332

C=CCOc1ccc(C2CCN(C(=O)OCc3ccccc3)CC2OCc2ccc3c(c2)N(CCCOC)C(=O)CO3)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 1/20 0.40
REN P00797 6/20 0.39
CYP3A4 P08684 2/20 0.38
MAPT P10636 3/20 0.35
CHRM1 P11229 3/20 0.35
TSHR P16473 1/20 0.35
PDE4B Q07343 1/20 0.34
OXTR P30559 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
HTR2A P28223 2/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
DRD2 P14416 1/20 0.33
CHRM3 P20309 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
ADRA1B P35368 1/20 0.33
KCNH2 Q12809 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
SCHEMBL3072592 0.91 REN (0.41) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3077558 0.91 UTS2R (0.42) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3069812 0.90 UTS2R (0.43) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3071485 0.90 UTS2R (0.40) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3083965 0.90 UTS2R (0.39) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3072557 0.90 REN (0.42) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3070773 0.90 UTS2R (0.39) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3075980 0.89 UTS2R (0.42) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3065054 0.89 REN (0.41) UTS2RRENCYP3A4MAPTCHRM1
SCHEMBL3070243 0.89 UTS2R (0.43) UTS2RRENMAPTCHRM1TSHR

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 514/4885REN 1/4885CYP3A4 29/4885
US-20070010511-A1 Organic compounds REN, ACE, ACE2 UTS2R 514/4885REN 1/4885CYP3A4 29/4885

“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.