SCHEMBL3001241

SCHEMBL3001241

CCCC(CCC)N1CCc2c(C(=O)OC)cc(N)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.37
ITGA2B P08514 6/20 0.37
DHPS P49366 2/20 0.37
GRIA1 P42261 1/20 0.37
GRIA2 P42262 1/20 0.37
GRIA3 P42263 1/20 0.37
GRIA4 P48058 1/20 0.37
CRHR1 P34998 1/20 0.36
KDM4E B2RXH2 3/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
OPRK1 P41145 1/20 0.33
POLB P06746 1/20 0.33
GAA P10253 3/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 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
SCHEMBL2999779 0.91 CRHR1 (0.35) ITGB3ITGA2BGRIA1GRIA2GRIA3
SCHEMBL3005687 0.87 GRIA1 (0.38) ITGB3ITGA2BDHPSGRIA1GRIA2
SCHEMBL2993123 0.87 CRHR1 (0.39) ITGB3ITGA2BDHPSGRIA1GRIA2
SCHEMBL3651071 0.87 ITGB3 (0.39) ITGB3ITGA2BDHPSKDM4ESLC6A3
SCHEMBL3002076 0.86 GRIA1 (0.37) ITGB3ITGA2BDHPSGRIA1GRIA2
SCHEMBL2993872 0.83 ALDH1A1 (0.45) ITGB3ITGA2BDHPSGRIA1GRIA2
SCHEMBL2996210 0.82 CHEK1 (0.37) ITGB3ITGA2BDHPSGRIA1GRIA2
SCHEMBL3005921 0.81 MAPT (0.41) ITGB3ITGA2BDHPSCRHR1KDM4E
SCHEMBL3004858 0.80 KMT2A (0.35) ITGB3ITGA2BDHPSGRIA1GRIA2
SCHEMBL3003368 0.79 DHPS (0.38) ITGB3ITGA2BDHPSGRIA1GRIA2

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 ITGB3 3447/4885ITGA2B 3449/4885DHPS 473/4885

“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.