SCHEMBL1915519

SCHEMBL1915519

c1ccc(-c2csc(NC3CC3)n2)c(-c2ccc(N3CCOCC3)nc2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.52
CYP3A4 P08684 2/20 0.48
PDE4B Q07343 1/20 0.48
PDE7A Q13946 1/20 0.48
PDE7B Q9NP56 1/20 0.48
SYK P43405 1/20 0.46
PIK3CA P42336 1/20 0.46
CCNT1 O60563 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ATR Q13535 1/20 0.43
CYP1A2 P05177 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
TYR P14679 1/20 0.42
PDE9A O76083 1/20 0.42
CYP1A1 P04798 2/20 0.41
CYP1B1 Q16678 2/20 0.41
HDAC8 Q9BY41 1/20 0.41

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
SCHEMBL1916681 0.87 CNR2 (0.55) CNR2CYP3A4PDE4BPDE7APDE7B
SCHEMBL1916104 0.80 CNR2 (0.51) CNR2CYP3A4PDE4BPDE7APDE7B
SCHEMBL16498391 0.80 FFAR2 (0.51) NPC1RAB9ATYR
SCHEMBL16498422 0.80 NPC1 (0.41) NPC1RAB9ATYR
SCHEMBL16498402 0.79 NPC1 (0.40) NPC1RAB9ATYR
SCHEMBL16498101 0.78 TYR (0.42) CYP3A4SYKNPC1RAB9ACYP1A2
SCHEMBL1914575 0.77 CNR2 (0.46) CNR2NPC1RAB9A
SCHEMBL1915656 0.76 FFAR2 (0.48) SYKNPC1RAB9ATYR
SCHEMBL1915236 0.76 NPC1 (0.47) SYKNPC1RAB9ATYR
SCHEMBL1914656 0.73 IRAK4 (0.46) SYKNPC1RAB9ATYR

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102245574-A Compounds, pharmaceutical compositions and methods for treating metabolic disorders EUROSCREEN SA 2011-11-16 CN disclosed
US-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2011-09-22 US disclosed
EP-2364297-A1 Compounds, pharmaceutical composition and methods for use in treating metabolic disorders Euroscreen S.A. (BE) 2011-09-14 EP disclosed
WO-2011076734-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING INFLAMMATORY DISEASES EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2011076732-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING GASTROINTESTINAL DISORDERS EUROSCREEN S.A. (BE) 2011-06-30 WO disclosed
WO-2010066682-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS EUROSCREEN S.A. (BE) 2010-06-17 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-20110230477-A1 COMPOUNDS, PHARMACEUTICAL COMPOSITION AND METHODS FOR USE IN TREATING METABOLIC DISORDERS CPT1A, LIPC, PC CNR2 822/4885CYP3A4 189/4885PDE4B 617/4885

“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.