SCHEMBL4399121

SCHEMBL4399121

CC(C)(C)OC(=O)N1CCn2c(ccc2C(=O)c2ccncc2)C1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.65
GPR119 Q8TDV5 6/20 0.42
POLB P06746 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MAPK1 P28482 1/20 0.40
ESR2 Q92731 1/20 0.39
GBA1 P04062 1/20 0.38
MAPT P10636 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GRM1 Q13255 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
RAB9A P51151 1/20 0.38
CCNA2 P20248 1/20 0.37
CDK2 P24941 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
SCHEMBL26910001 0.81 NR1H2 (0.76) NR1H2GPR119POLBMEN1KMT2A
SCHEMBL4401657 0.81 NR1H2 (0.58) NR1H2GPR119POLBMAPK1ESR2
SCHEMBL4400852 0.78 NR1H2 (0.55) NR1H2GPR119POLBMAPK1ESR2
SCHEMBL4401667 0.77 NR1H2 (0.54) NR1H2GPR119POLBMEN1KMT2A
SCHEMBL4404349 0.77 NR1H2 (0.57) NR1H2GPR119POLBMAPK1ESR2
SCHEMBL4401564 0.76 NR1H2 (0.52) NR1H2GPR119POLBMAPK1
SCHEMBL3960220 0.76 MEN1 (0.66) GPR119POLBMEN1KMT2AALDH1A1
SCHEMBL4399119 0.74 NR1H2 (0.55) NR1H2GPR119POLBMAPK1GBA1
SCHEMBL4399096 0.73 NR1H2 (0.63) NR1H2GPR119POLBMEN1KMT2A
SCHEMBL25412917 0.72 NR1H2 (0.62) NR1H2GPR119POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 US disclosed
WO-2009090054-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
WO-2009090055-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 US 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-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 NR1H2 999/4885GPR119 396/4885POLB 4295/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885GPR119 1047/4885POLB 2974/4885

“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.