SCHEMBL4406030

SCHEMBL4406030

CC(C)(C)OC(=O)N1CCn2c(ccc2C(O)c2cccnc2)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.51
CYP3A4 P08684 1/20 0.48
CYP3A5 P20815 1/20 0.48
GPR119 Q8TDV5 4/20 0.47
GBA1 P04062 1/20 0.46
KIT P10721 1/20 0.42
PLA2G7 Q13093 1/20 0.41
MGLL Q99685 1/20 0.41
ABHD6 Q9BV23 1/20 0.41
POLB P06746 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
NAMPT P43490 1/20 0.40
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 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
SCHEMBL4399119 0.78 NR1H2 (0.55) NR1H2CYP3A4CYP3A5GPR119GBA1
SCHEMBL4401564 0.78 NR1H2 (0.52) NR1H2GPR119POLBMAPK1
SCHEMBL4401776 0.76 NR1H2 (0.55) NR1H2CYP3A4CYP3A5GPR119GBA1
SCHEMBL4400855 0.76 NR1H2 (0.52) NR1H2CYP3A4CYP3A5GPR119GBA1
SCHEMBL31071488 0.75 CYP3A4 (0.71) CYP3A4CYP3A5GPR119GBA1PLA2G7
SCHEMBL15093706 0.75 CYP3A4 (0.71) CYP3A4CYP3A5GPR119GBA1PLA2G7
SCHEMBL4401774 0.75 NR1H2 (0.51) NR1H2CYP3A4CYP3A5GPR119GBA1
SCHEMBL19668681 0.75 CYP3A4 (0.59) CYP3A4CYP3A5GPR119GBA1KIT
SCHEMBL29363322 0.75 CYP3A4 (0.59) CYP3A4CYP3A5GPR119GBA1KIT
SCHEMBL210120 0.74 CYP3A4 (0.61) CYP3A4CYP3A5GPR119GBA1KIT

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 999/4885CYP3A4 1693/4885CYP3A5 2004/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885CYP3A4 2714/4885CYP3A5 1932/4885

“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.