SCHEMBL3000727

SCHEMBL3000727

CCCC(CCC)N1CCc2c(C(=O)OC)cc(-c3ncco3)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLRA3 O75311 1/20 0.39
GLRB P48167 1/20 0.39
CFTR P13569 1/20 0.37
DHPS P49366 2/20 0.36
F11 P03951 1/20 0.34
KLKB1 P03952 1/20 0.34
CRHR1 P34998 1/20 0.33
ITGB3 P05106 1/20 0.33
ITGA2B P08514 1/20 0.33
GRIA1 P42261 1/20 0.32
GRIA2 P42262 1/20 0.32
GRIA3 P42263 1/20 0.32
GRIA4 P48058 1/20 0.32
CHRNA7 P36544 1/20 0.32
CHRNA10 Q9GZZ6 1/20 0.32
CHRNA9 Q9UGM1 1/20 0.32
LTA4H P09960 1/20 0.32
BRD4 O60885 1/20 0.32
GRM5 P41594 1/20 0.32
MGLL Q99685 1/20 0.31

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
SCHEMBL2993123 0.79 CRHR1 (0.39) DHPSCRHR1ITGB3ITGA2BGRIA1
SCHEMBL3005687 0.79 GRIA1 (0.38) DHPSCRHR1ITGB3ITGA2BGRIA1
SCHEMBL3001241 0.78 ITGB3 (0.37) DHPSCRHR1ITGB3ITGA2BGRIA1
SCHEMBL3002076 0.78 GRIA1 (0.37) DHPSCRHR1ITGB3ITGA2BGRIA1
SCHEMBL3003368 0.77 DHPS (0.38) DHPSCRHR1ITGB3ITGA2BGRIA1
SCHEMBL3003458 0.76 DHPS (0.37) DHPSBRD4GRM5
SCHEMBL2993872 0.75 ALDH1A1 (0.45) DHPSCRHR1ITGB3ITGA2BGRIA1
SCHEMBL2996210 0.74 CHEK1 (0.37) DHPSCRHR1ITGB3ITGA2BGRIA1
SCHEMBL3005921 0.73 MAPT (0.41) DHPSCRHR1ITGB3ITGA2BGRM5
SCHEMBL3004858 0.72 KMT2A (0.35) DHPSCRHR1ITGB3ITGA2BGRIA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8372864-B2 1-oxo-isoindoline-4-carboxamide and 1-oxo-1,2,3,4-tetrahydroisoquinoline-5-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-02-12 US disclosed
US-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-08-05 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 (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-20100197725-A1 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF COX4I1, CNR2, CNR1 GLRA3 788/4885GLRB 987/4885CFTR 2736/4885

“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.