SCHEMBL4400858

SCHEMBL4400858

CC(C)(C)OC(=O)N1CCn2cc(CCc3ccncc3)nc2C1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.46
LIPG Q9Y5X9 1/20 0.40
ACHE P22303 1/20 0.40
PDE10A Q9Y233 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
NAMPT P43490 1/20 0.39
P2RX3 P56373 1/20 0.38
PRKCI P41743 3/20 0.38
MAPK1 P28482 1/20 0.38
GRM1 Q13255 1/20 0.38
NR1H2 P55055 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL4401573 0.90 GPR119 (0.47) GPR119ACHEPDE10ANAMPTPRKCI
SCHEMBL13769875 0.84 MEN1 (0.39) MEN1ALDH1A1LMNAKMT2A
SCHEMBL16741058 0.83 NR1H2 (0.41) GPR119ACHEALDH1A1LMNAPRKCI
SCHEMBL2753242 0.83 THRB (0.37) MEN1ALDH1A1LMNAKMT2A
SCHEMBL15882223 0.82 NR1H2 (0.40) GPR119ACHEMEN1ALDH1A1LMNA
SCHEMBL29697704 0.82 NR1H2 (0.40) GPR119ACHEMEN1ALDH1A1LMNA
SCHEMBL4399129 0.81 GPR119 (0.45) GPR119ACHEMEN1KMT2ANAMPT
SCHEMBL4399124 0.80 GPR119 (0.46) GPR119PDE10APRKCIMAPK1GRM1
SCHEMBL2751778 0.77 PREP (0.38) ACHEMEN1ALDH1A1LMNAKMT2A
SCHEMBL31346862 0.77 ESR2 (0.38) GPR119ACHEALDH1A1LMNAMAPK1

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 396/4885LIPG 3733/4885ACHE 1362/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A GPR119 1047/4885LIPG 4760/4885ACHE 834/4885

“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.