SCHEMBL4400855

SCHEMBL4400855

CC(C)(C)OC(=O)N1CCn2c(Cc3cccnc3)ccc2C1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.52
NAMPT P43490 1/20 0.46
GPR119 Q8TDV5 5/20 0.46
GBA1 P04062 1/20 0.42
TBXAS1 P24557 3/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 2/20 0.40
KIT P10721 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
CYP3A5 P20815 1/20 0.40
MAPK1 P28482 1/20 0.40
ACHE P22303 1/20 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

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
SCHEMBL4401774 0.91 NR1H2 (0.51) NR1H2NAMPTGPR119GBA1POLB
SCHEMBL4400852 0.88 NR1H2 (0.55) NR1H2NAMPTGPR119POLBLIPG
SCHEMBL2753579 0.83 TBXAS1 (0.45) TBXAS1
SCHEMBL4401667 0.81 NR1H2 (0.54) NR1H2GPR119POLBLIPGMAPK1
SCHEMBL4399119 0.79 NR1H2 (0.55) NR1H2NAMPTGPR119GBA1POLB
SCHEMBL4401776 0.77 NR1H2 (0.55) NR1H2NAMPTGPR119GBA1POLB
SCHEMBL17007693 0.76 KDM4E (0.58) NAMPTGPR119GBA1POLB
SCHEMBL4234534 0.76 FNTA (0.57) NAMPTGPR119GBA1POLBCYP3A4
SCHEMBL2753696 0.76 NR1H2 (0.59) NR1H2GPR119POLBLIPGMAPK1
SCHEMBL1308283 0.76 P2RX7 (0.56) NAMPTGPR119GBA1POLBMAPK1

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 999/4885NAMPT 2318/4885GPR119 396/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885NAMPT 2550/4885GPR119 1047/4885

“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.