SCHEMBL4399124

SCHEMBL4399124

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.46
P2RX7 Q99572 2/20 0.44
USP30 Q70CQ3 1/20 0.44
GRM1 Q13255 1/20 0.42
PRKCI P41743 3/20 0.42
MAPK1 P28482 1/20 0.40
NR1H2 P55055 1/20 0.40
PDE10A Q9Y233 1/20 0.40
POLB P06746 1/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL15933682 0.88 GBA1 (0.52) GPR119P2RX7GRM1MAPK1NR1H2
SCHEMBL17298980 0.87 F2RL1 (0.45) P2RX7GRM1MMP13
SCHEMBL15933469 0.86 GPR119 (0.43) GPR119P2RX7MAPK1NR1H2HTT
SCHEMBL15933695 0.84 EGLN2 (0.48) GPR119P2RX7HTTATM
SCHEMBL18329405 0.81 MAPT (0.51) GPR119P2RX7MMP13
SCHEMBL2753290 0.81 P2RX7 (0.53) P2RX7MAPK1HTT
SCHEMBL4401573 0.81 GPR119 (0.47) GPR119GRM1PRKCIMAPK1NR1H2
SCHEMBL2813207 0.81 SMARCA2 (0.53) GPR119P2RX7MAPK1NR1H2POLB
SCHEMBL4400858 0.80 GPR119 (0.46) GPR119GRM1PRKCIMAPK1NR1H2
SCHEMBL4400862 0.80 GPR119 (0.39) GPR119GRM1PRKCIMAPK1NR1H2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014117318-A1 NOVEL TRIAZOLE ANTIFUNGAL COMPOUNDS, AND PHARMACEUTICAL COMPOSITION, PREPARATION METHOD, AND APPLICATION THEREOF 中国科学院上海药物研究所 (CN) 2014-08-07 WO 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-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 GPR119 396/4885P2RX7 130/4885USP30 4586/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A GPR119 1047/4885P2RX7 221/4885USP30 3822/4885

“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.