SCHEMBL1917511

SCHEMBL1917511

Cn1c(=O)[nH]c2ncc(-c3ccccc3-c3csc(N(C(=O)[C@@H](CC(=O)O)CC4CCCC4)C4CC4)n3)cc21

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.68
GRIN1 Q05586 5/20 0.35
GRIN2B Q13224 5/20 0.35
PDE2A O00408 4/20 0.34
PDE3B Q13370 4/20 0.34
PDE3A Q14432 4/20 0.34
P2RY12 Q9H244 4/20 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
SCHEMBL1917516 1.00 FFAR2 (0.68) FFAR2GRIN1GRIN2BPDE2APDE3B
SCHEMBL1917089 0.90 FFAR2 (0.69) FFAR2PDE3BPDE3AP2RY12
SCHEMBL1917095 0.90 FFAR2 (0.69) FFAR2PDE3BPDE3AP2RY12
SCHEMBL1916398 0.88 FFAR2 (0.70) FFAR2GRIN1GRIN2B
SCHEMBL1916394 0.88 FFAR2 (0.70) FFAR2GRIN1GRIN2B
SCHEMBL1916941 0.85 FFAR2 (0.70) FFAR2
SCHEMBL1916762 0.85 FFAR2 (0.70) FFAR2GRIN1GRIN2B
SCHEMBL2397947 0.85 FFAR2 (0.70) FFAR2
SCHEMBL2399168 0.85 FFAR2 (0.70) FFAR2GRIN1GRIN2B
SCHEMBL16498340 0.85 FFAR2 (0.69) FFAR2

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
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US claimed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP claimed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO claimed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 WO claimed

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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC FFAR2 295/4885GRIN1 3306/4885GRIN2B 3110/4885

“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.