SCHEMBL4400862

SCHEMBL4400862

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.39
HTT P42858 2/20 0.39
ATM Q13315 1/20 0.39
MAPK1 P28482 2/20 0.38
GRM1 Q13255 1/20 0.38
NR1H2 P55055 1/20 0.37
PRKCI P41743 3/20 0.37
POLB P06746 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ACHE P22303 1/20 0.36
LMNA P02545 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
SCHEMBL4401576 0.86 POLB (0.39) GPR119HTTATMMAPK1POLB
SCHEMBL4399129 0.85 GPR119 (0.45) GPR119HTTATMMAPK1GRM1
SCHEMBL4399124 0.80 GPR119 (0.46) GPR119HTTATMMAPK1GRM1
SCHEMBL19068876 0.78 HTT (0.40) HTTATMMAPK1NR1H2POLB
SCHEMBL4401573 0.77 GPR119 (0.47) GPR119HTTATMMAPK1GRM1
SCHEMBL4402985 0.77 GPR119 (0.39) GPR119MAPK1GRM1NR1H2PRKCI
SCHEMBL4400858 0.77 GPR119 (0.46) GPR119MAPK1GRM1NR1H2PRKCI
SCHEMBL15933470 0.74 NR1H2 (0.41) HTTATMMAPK1NR1H2POLB
SCHEMBL14553991 0.73 MGLL (0.43) GPR119HTTATMMAPK1NR1H2
SCHEMBL1817445 0.73 ADORA1 (0.42) HTTATMMAPK1NR1H2ESR2

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 GPR119 396/4885HTT 3626/4885ATM 2303/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A GPR119 1047/4885HTT 2603/4885ATM 2743/4885

“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.