SCHEMBL3002199

SCHEMBL3002199

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

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.38
ITGA2B P08514 6/20 0.38
DHPS P49366 2/20 0.37
TTR P02766 1/20 0.37
CRHR1 P34998 3/20 0.32
KDM4E B2RXH2 2/20 0.32
ALOX15 P16050 1/20 0.32
NOTUM Q6P988 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL3006179 0.88 ITGB3 (0.38) ITGB3ITGA2BDHPSCRHR1KDM4E
SCHEMBL2993123 0.87 CRHR1 (0.39) ITGB3ITGA2BDHPSCRHR1KDM4E
SCHEMBL3653143 0.86 ITGB3 (0.37) ITGB3ITGA2BDHPSKDM4EALOX15
SCHEMBL3005862 0.86 ITGB3 (0.37) ITGB3ITGA2BDHPSKDM4EALOX15
SCHEMBL2999793 0.83 LIPG (0.37) ITGB3ITGA2BDHPSCRHR1SLC6A4
SCHEMBL2996231 0.81 DHPS (0.42) ITGB3ITGA2BDHPSKDM4EALOX15
SCHEMBL2997716 0.81 ITGB3 (0.36) ITGB3ITGA2BDHPS
SCHEMBL2998670 0.78 DHPS (0.40) ITGB3ITGA2BDHPSKDM4EALOX15
SCHEMBL3005687 0.75 GRIA1 (0.38) ITGB3ITGA2BDHPSCRHR1SLC6A2
SCHEMBL3002076 0.74 GRIA1 (0.37) ITGB3ITGA2BDHPSCRHR1SLC6A2

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 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.