SCHEMBL4402985

SCHEMBL4402985

CC(C)(C)OC(=O)N1CCn2cc(/C=C/c3ccncc3)nc2C1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.39
NR1H2 P55055 2/20 0.39
HDAC1 Q13547 1/20 0.39
MAPK1 P28482 1/20 0.38
GRM1 Q13255 1/20 0.38
POLB P06746 1/20 0.36
PRKCI P41743 2/20 0.36
ESR2 Q92731 1/20 0.36
ACHE P22303 1/20 0.36
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 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
SCHEMBL2753515 0.82 NR1H2 (0.40) NR1H2MAPK1POLBESR2ACHE
SCHEMBL4399124 0.80 GPR119 (0.46) GPR119NR1H2MAPK1GRM1POLB
SCHEMBL4401573 0.77 GPR119 (0.47) GPR119NR1H2MAPK1GRM1POLB
SCHEMBL4400862 0.77 GPR119 (0.39) GPR119NR1H2MAPK1GRM1POLB
SCHEMBL4400858 0.77 GPR119 (0.46) GPR119NR1H2MAPK1GRM1PRKCI
SCHEMBL4399129 0.75 GPR119 (0.45) GPR119MAPK1GRM1POLBPRKCI
SCHEMBL15933470 0.74 NR1H2 (0.41) NR1H2HDAC1MAPK1POLBESR2
SCHEMBL4404349 0.74 NR1H2 (0.57) GPR119NR1H2HDAC1MAPK1GRM1
SCHEMBL14553991 0.73 MGLL (0.43) GPR119NR1H2MAPK1POLBESR2
SCHEMBL1817445 0.73 ADORA1 (0.42) NR1H2MAPK1ESR2ACHEALDH1A1

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 GPR119 396/4885NR1H2 999/4885HDAC1 1982/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A GPR119 1047/4885NR1H2 1264/4885HDAC1 563/4885

“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.