SCHEMBL1916461

SCHEMBL1916461

CN(C(=O)C(CC(=O)O)CC1CCOCC1)c1nc(-c2ccccc2-c2cnc3c(c2)CC(=O)N3C)cs1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR2 O15552 11/20 0.64
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
USP1 O94782 2/20 0.34
GCK P35557 1/20 0.32
UCHL1 P09936 3/20 0.32
USP30 Q70CQ3 3/20 0.32
ALOX15 P16050 1/20 0.31
CCNK O75909 1/20 0.31
CDK9 P50750 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
SCHEMBL1916458 1.00 FFAR2 (0.64) FFAR2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2052727 0.94 FFAR2 (0.63) FFAR2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2052728 0.94 FFAR2 (0.63) FFAR2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2052731 0.94 FFAR2 (0.62) FFAR2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL2052730 0.94 FFAR2 (0.62) FFAR2NPC1RAB9ALMNASMN1; SMN2
SCHEMBL1916549 0.93 FFAR2 (0.56) FFAR2GCKCCNKCDK9
SCHEMBL1916532 0.93 FFAR2 (0.59) FFAR2NPC1RAB9AUSP1UCHL1
SCHEMBL1916536 0.93 FFAR2 (0.59) FFAR2NPC1RAB9AUSP1UCHL1
SCHEMBL1916552 0.93 FFAR2 (0.56) FFAR2GCKCCNKCDK9
SCHEMBL1916568 0.92 FFAR2 (0.60) FFAR2USP1GCK

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 295/4885NPC1 28/4885RAB9A 1681/4885

“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.