SCHEMBL8264338

SCHEMBL8264338

COCOc1cc(C2=C(C(=O)OC)CN(C(=O)OC(C)(C)C)CC2)cc(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 6/20 0.46
CHRM1 P11229 6/20 0.46
CHRM2 P08172 3/20 0.46
CHRM4 P08173 3/20 0.46
CHRM3 P20309 3/20 0.46
NR1H2 P55055 2/20 0.41
MGAT2 Q10469 1/20 0.40
DGAT2 Q96PD7 1/20 0.40
KIT P10721 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ESR2 Q92731 1/20 0.38
USP30 Q70CQ3 3/20 0.37
HDAC8 Q9BY41 1/20 0.37
CKS1B P61024 1/20 0.36
SKP1 P63208 1/20 0.36
SKP2 Q13309 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8262901 0.93 MGAT2 (0.39) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL8264351 0.90 CHRM5 (0.43) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL8264324 0.90 CHRM5 (0.47) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL8264279 0.87 CHRM2 (0.48) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL8261717 0.85 CHRM2 (0.51) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL6418231 0.84 CHRM5 (0.59) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL8264295 0.83 MGAT2 (0.42) NR1H2MGAT2DGAT2KITESR2
SCHEMBL8264406 0.82 MGAT2 (0.43) CHRM5CHRM1NR1H2MGAT2DGAT2
SCHEMBL8264380 0.79 ESR2 (0.49) CHRM5CHRM1CHRM2CHRM4CHRM3
SCHEMBL8252006 0.79 SLC6A3 (0.58) CHRM5CHRM1CHRM2CHRM4CHRM3

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8178559-B2 Organic compounds NOVARTIS AG (CH) 2012-05-15 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-8084450-B2 Organic compounds NOVARTIS AG (CH) 2011-12-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20110263560-A1 Organic Compounds NOVARTIS AG (CH) 2011-10-27 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
US-20090312304-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2009-12-17 US disclosed
WO-2006074924-A1 3,4,(5)-SUBSTITUTED TETRAHVDROPYRIDINES NOVARTIS AG (CH) 2006-07-20 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 (3 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-20100029647-A1 3,4,(5)-SUBSTITUTED TETRAHYDROPHYRIDINES REN, PAH, ACE CHRM5 645/4885CHRM1 1710/4885CHRM2 2568/4885
US-20110263560-A1 Organic Compounds REN, ACE, OTC CHRM5 1754/4885CHRM1 1634/4885CHRM2 2831/4885
US-20090312304-A1 ORGANIC COMPOUNDS REN, ACE, PIGO CHRM5 2292/4885CHRM1 1948/4885CHRM2 3139/4885

“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.