SCHEMBL4401776

SCHEMBL4401776

CC(C)(C)OC(=O)N1CCn2c(/C=C/c3cccnc3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
GPR119 Q8TDV5 4/20 0.46
RAB9A P51151 2/20 0.42
GBA1 P04062 1/20 0.42
POLB P06746 1/20 0.41
KIT P10721 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP3A5 P20815 1/20 0.40
MAPK1 P28482 2/20 0.40
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL4404349 0.89 NR1H2 (0.57) NR1H2GPR119GBA1POLBMAPK1
SCHEMBL4399119 0.79 NR1H2 (0.55) NR1H2GPR119GBA1POLBKIT
SCHEMBL4399096 0.79 NR1H2 (0.63) NR1H2GPR119RAB9APOLBMAPK1
SCHEMBL4403708 0.78 NR1H2 (0.62) NR1H2GPR119POLBMAPK1CKS1B
SCHEMBL4401695 0.77 NR1H2 (0.58) NR1H2GPR119POLBMAPK1CKS1B
SCHEMBL4400855 0.77 NR1H2 (0.52) NR1H2GPR119GBA1POLBKIT
SCHEMBL4406030 0.76 NR1H2 (0.51) NR1H2GPR119GBA1POLBKIT
SCHEMBL4401774 0.76 NR1H2 (0.51) NR1H2GPR119GBA1POLBKIT
SCHEMBL2240310 0.74 GPR119 (0.50) GPR119RAB9AGBA1POLBKIT
SCHEMBL1936458 0.74 GPR119 (0.50) GPR119RAB9AGBA1POLBKIT

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-2009090055-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 WO disclosed
WO-2009090054-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 396/4885RAB9A 2641/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885GPR119 1047/4885RAB9A 948/4885

“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.