SCHEMBL4401692

SCHEMBL4401692

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.58
ESR2 Q92731 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 2/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CHRM2 P08172 1/20 0.37
CHRM4 P08173 1/20 0.37
CHRM1 P11229 1/20 0.37
CHRM3 P20309 1/20 0.37
GPR119 Q8TDV5 2/20 0.36
DTYMK P23919 2/20 0.35
STS P08842 1/20 0.35
NPC1 O15118 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL2753696 0.86 NR1H2 (0.59) NR1H2ESR2LIPGALDH1A1MAPT
SCHEMBL4401560 0.83 NR1H2 (0.56) NR1H2ESR2LIPGALDH1A1MAPT
SCHEMBL4399101 0.82 NR1H2 (0.55) NR1H2ESR2LIPGALDH1A1MAPT
SCHEMBL4406026 0.81 NR1H2 (0.54) NR1H2ESR2LIPGALDH1A1MAPT
SCHEMBL4401667 0.81 NR1H2 (0.54) NR1H2ESR2LIPGALDH1A1MAPT
SCHEMBL4399096 0.80 NR1H2 (0.63) NR1H2ESR2LIPGALDH1A1MAPT
SCHEMBL4401774 0.79 NR1H2 (0.51) NR1H2LIPGMAPTMAPK1POLB
SCHEMBL3810623 0.78 NR1H2 (0.61) NR1H2ESR2LIPGALDH1A1MAPT
SCHEMBL4400852 0.78 NR1H2 (0.55) NR1H2ESR2LIPGMAPK1POLB
SCHEMBL3810828 0.77 NR1H2 (0.57) NR1H2ESR2ALDH1A1MAPTMAPK1

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 6 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-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
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

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 999/4885ESR2 461/4885LIPG 3733/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885ESR2 713/4885LIPG 4760/4885

“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.