SCHEMBL4400852

SCHEMBL4400852

CC(C)(C)OC(=O)N1CCn2c(Cc3ccncc3)ccc2C1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.55
GPR119 Q8TDV5 9/20 0.48
POLB P06746 1/20 0.43
MAPK1 P28482 1/20 0.40
CYP17A1 P05093 1/20 0.40
NAMPT P43490 1/20 0.38
LIPG Q9Y5X9 1/20 0.38
ESR2 Q92731 1/20 0.38
DTYMK P23919 1/20 0.38
PRKCI P41743 1/20 0.38
GRM1 Q13255 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
SCHEMBL4401667 0.90 NR1H2 (0.54) NR1H2GPR119POLBMAPK1LIPG
SCHEMBL4400855 0.88 NR1H2 (0.52) NR1H2GPR119POLBMAPK1NAMPT
SCHEMBL2753704 0.82 KDM4E (0.37) POLB
SCHEMBL4401564 0.81 NR1H2 (0.52) NR1H2GPR119POLBMAPK1LIPG
SCHEMBL4401774 0.81 NR1H2 (0.51) NR1H2GPR119POLBMAPK1NAMPT
SCHEMBL4401657 0.80 NR1H2 (0.58) NR1H2GPR119POLBMAPK1ESR2
SCHEMBL2753696 0.79 NR1H2 (0.59) NR1H2GPR119POLBMAPK1LIPG
SCHEMBL4399121 0.78 NR1H2 (0.65) NR1H2GPR119POLBMAPK1ESR2
SCHEMBL4401692 0.78 NR1H2 (0.58) NR1H2GPR119POLBMAPK1LIPG
SCHEMBL4404349 0.76 NR1H2 (0.57) NR1H2GPR119POLBMAPK1ESR2

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 396/4885POLB 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.