SCHEMBL2998670

SCHEMBL2998670

CCCC(CCC)N1CCc2c(C(=O)O)cc(-c3ccccc3C#N)cc2C1=O

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHPS P49366 2/20 0.40
GRIA2 P42262 1/20 0.38
GRIA4 P48058 1/20 0.38
CTSA P10619 3/20 0.36
USP19 O94966 2/20 0.35
AGTR1 P30556 1/20 0.35
AGTR2 P50052 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALOX15 P16050 1/20 0.35
BRS3 P32247 1/20 0.35
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
HSD17B3 P37058 1/20 0.34
USP30 Q70CQ3 1/20 0.34
NPY2R P49146 2/20 0.34

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
SCHEMBL3003368 0.89 DHPS (0.38) DHPSGRIA2GRIA4KDM4EITGB3
SCHEMBL3000090 0.85 XDH (0.42) DHPSGRIA2GRIA4USP30
SCHEMBL2996231 0.79 DHPS (0.42) DHPSKDM4EALOX15ITGB3ITGA2B
SCHEMBL3002199 0.78 ITGB3 (0.38) DHPSKDM4EALOX15ITGB3ITGA2B
SCHEMBL3006179 0.78 ITGB3 (0.38) DHPSKDM4EALOX15ITGB3ITGA2B
SCHEMBL3651071 0.77 ITGB3 (0.39) DHPSKDM4EALOX15ITGB3ITGA2B
SCHEMBL3653143 0.77 ITGB3 (0.37) DHPSKDM4EALOX15ITGB3ITGA2B
SCHEMBL3005862 0.77 ITGB3 (0.37) DHPSKDM4EALOX15ITGB3ITGA2B
SCHEMBL2997716 0.72 ITGB3 (0.36) DHPSITGB3ITGA2B
SCHEMBL3005921 0.70 MAPT (0.41) DHPSKDM4EITGB3ITGA2B

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 4 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
EP-2185511-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF Sanofi-Aventis (FR) 2010-05-19 EP disclosed
WO-2009044019-A2 1-OXO-ISOINDOLINE-4-CARBOXAMIDE AND 1-OXO-1,2,3,4-TETRAHYDROISOQUINOLINE-5-CARBOXAMIDE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2009-04-09 WO 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 DHPS 473/4885GRIA2 410/4885GRIA4 287/4885

“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.