SCHEMBL6005091

SCHEMBL6005091

CCCCCC(N)O[C]=O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.44
LAP3 P28838 2/20 0.41
TP53 P04637 1/20 0.41
GRIK1 P39086 2/20 0.40
GRIK2 Q13002 2/20 0.40
SLC1A2 P43004 1/20 0.40
SLC1A1 P43005 1/20 0.40
SMPD1 P17405 3/20 0.38
SPHK1 Q9NYA1 2/20 0.38
MAPT P10636 1/20 0.36
S1PR2 O95136 5/20 0.36
S1PR1 P21453 5/20 0.36
S1PR3 Q99500 5/20 0.36
S1PR4 O95977 4/20 0.36
PLA2G1B P04054 1/20 0.35
PLA2G2A P14555 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
SCHEMBL6008535 0.93
SCHEMBL6006463 0.84
SCHEMBL9777154 0.77 MAPT (0.39) OPRM1LAP3TP53SMPD1MAPT
SCHEMBL4164184 0.76 MAPT (0.42) SMPD1MAPT
SCHEMBL22342663 0.76 MAPT (0.42) SMPD1MAPT
SCHEMBL7699553 0.76 MAPT (0.42) SMPD1MAPT
SCHEMBL8697461 0.76 MAPT (0.38) OPRM1LAP3TP53SMPD1MAPT
SCHEMBL93266 0.76 OPRM1 (0.41) OPRM1TP53SMPD1MAPT
SCHEMBL8371036 0.76 MAPT (0.42) SMPD1MAPT
SCHEMBL2111100 0.74 FAAH (0.43) OPRM1SMPD1SPHK1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1207161-B1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMA CO LTD (JP) 2006-01-18 EP disclosed
US-6777410-B2 SUCH AS 9-(2-METHOXYPHENYL)-3-(1-METHYLETHYL)-(1,3)OXAZOLO-(2,3)ISOINDOLE-2,5(3H,9H)-DIONE; DIABETES AND COMPLICATIONS; OBESITY BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-08-17 US disclosed
US-20040053923-A1 Novel isoindole derivatives BANYU PHARMACEUTICAL CO., LTD. 2004-03-18 US disclosed
US-6608098-B1 Diabetes or obesity, 2-(4-(3-isopropyl-2,5-dioxo-2,3-dihydro-1H-pyrrolo(2,1-a) isoindol-9(5H)-yl)phenoxy)-N-propylacetamide BANYU PHARMACEUTICAL CO., LTD. (JP) 2003-08-19 US disclosed
EP-1207161-A1 NOVEL ISOINDOLE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-05-22 EP 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 (1 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-20040053923-A1 Novel isoindole derivatives GPR119, SLC5A2, SLC5A1 OPRM1 136/4885LAP3 4140/4885TP53 4143/4885

“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.