SCHEMBL1916673

SCHEMBL1916673

CN(C(=O)[C@@H](CC(=O)O)CC1CCOCC1)c1nc(-c2cc(F)ccc2-c2cnc3c(ccn3C)c2)cs1

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.58
CAPN1 P07384 1/20 0.35
CCNK O75909 1/20 0.34
CDK9 P50750 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GCK P35557 1/20 0.33
GRM1 Q13255 3/20 0.32
GRM5 P41594 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ENPP2 Q13822 1/20 0.32

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
SCHEMBL1916679 1.00 FFAR2 (0.58) FFAR2CAPN1CCNKCDK9NPC1
SCHEMBL2398790 0.94 FFAR2 (0.56) FFAR2CAPN1NPC1RAB9AGRM1
SCHEMBL2052993 0.94 FFAR2 (0.56) FFAR2CAPN1NPC1RAB9AGRM1
SCHEMBL1915803 0.93 FFAR2 (0.62) FFAR2CCNKCDK9NPC1RAB9A
SCHEMBL1915807 0.93 FFAR2 (0.62) FFAR2CCNKCDK9NPC1RAB9A
SCHEMBL2047116 0.92 FFAR2 (0.66) FFAR2CCNKCDK9NPC1RAB9A
SCHEMBL2047120 0.92 FFAR2 (0.66) FFAR2CCNKCDK9NPC1RAB9A
SCHEMBL1917147 0.92 FFAR2 (0.53) FFAR2CCNKCDK9GCK
SCHEMBL1917160 0.92 FFAR2 (0.53) FFAR2CCNKCDK9GCK
SCHEMBL1917018 0.92 FFAR2 (0.55) FFAR2MEN1MAPTKMT2A

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 295/4885CAPN1 4013/4885CCNK 3970/4885

“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.