SCHEMBL4401564

SCHEMBL4401564

CC(C)(C)OC(=O)N1CCn2c(ccc2C(O)Cc2ccncc2)C1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
GPR119 Q8TDV5 6/20 0.46
CHRM1 P11229 1/20 0.39
PRKCI P41743 1/20 0.39
POLB P06746 1/20 0.39
LIPG Q9Y5X9 1/20 0.38
MAPK1 P28482 1/20 0.38
ACHE P22303 1/20 0.38
DTYMK P23919 1/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
P2RX7 Q99572 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
SCHEMBL4400852 0.81 NR1H2 (0.55) NR1H2GPR119PRKCIPOLBLIPG
SCHEMBL4401667 0.81 NR1H2 (0.54) NR1H2GPR119POLBLIPGMAPK1
SCHEMBL4406030 0.78 NR1H2 (0.51) NR1H2GPR119POLBMAPK1
SCHEMBL4401657 0.78 NR1H2 (0.58) NR1H2GPR119PRKCIPOLBMAPK1
SCHEMBL4399121 0.76 NR1H2 (0.65) NR1H2GPR119POLBMAPK1
SCHEMBL4399129 0.75 GPR119 (0.45) GPR119CHRM1PRKCIPOLBMAPK1
SCHEMBL4404349 0.74 NR1H2 (0.57) NR1H2GPR119POLBMAPK1
SCHEMBL26910001 0.73 NR1H2 (0.76) NR1H2GPR119POLBLIPGMAPK1
SCHEMBL4400855 0.72 NR1H2 (0.52) NR1H2GPR119POLBLIPGMAPK1
SCHEMBL4401774 0.72 NR1H2 (0.51) NR1H2GPR119POLBLIPGMAPK1

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 396/4885CHRM1 222/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885GPR119 1047/4885CHRM1 1596/4885

“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.