SCHEMBL4399130

SCHEMBL4399130

CC(C)(C)OC(=O)N1CCn2c(CN3CCCCC3)nnc2C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.40
HPGD P15428 1/20 0.38
CYP8B1 Q9UNU6 1/20 0.37
PREP P48147 1/20 0.37
P2RX7 Q99572 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
TTK P33981 1/20 0.35
PARP1 P09874 1/20 0.35
HTT P42858 1/20 0.35
ATM Q13315 1/20 0.35
ESR2 Q92731 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
USP2 O75604 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL26126866 0.84 NR1H2 (0.44) NR1H2CYP8B1P2RX7ALDH1A1MAPT
SCHEMBL31701082 0.83 FAAH (0.47) NR1H2CYP8B1P2RX7MEN1KMT2A
SCHEMBL26122137 0.83 NR1H2 (0.43) NR1H2CYP8B1P2RX7ALDH1A1MAPT
SCHEMBL26128727 0.81 NR1H2 (0.45) NR1H2CYP8B1P2RX7ALDH1A1MAPT
SCHEMBL10095021 0.77 NR1H2 (0.47) NR1H2CYP8B1P2RX7MEN1KMT2A
SCHEMBL3134930 0.76 CYP8B1 (0.54) NR1H2CYP8B1P2RX7
SCHEMBL31701430 0.76 GPR119 (0.41) NR1H2CYP8B1ALDH1A1MAPTSMN1; SMN2
SCHEMBL1497486 0.76 P2RX7 (0.49) NR1H2CYP8B1P2RX7ALDH1A1MAPT
SCHEMBL22952373 0.76 P2RX7 (0.48) NR1H2CYP8B1P2RX7ALDH1A1MAPT
SCHEMBL15580338 0.76 NR1H2 (0.46) NR1H2CYP8B1MEN1KMT2AALDH1A1

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 9 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

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 999/4885HPGD 957/4885CYP8B1 1887/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885HPGD 2919/4885CYP8B1 1974/4885

“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.