SCHEMBL5405502

SCHEMBL5405502

Cn1cc(CO)c(OCc2ccccc2)n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.44
CNR2 P34972 2/20 0.44
ACHE P22303 1/20 0.44
ADORA3 P0DMS8 2/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.42
PDE10A Q9Y233 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
BRD4 O60885 1/20 0.42
RHEB Q15382 1/20 0.41
HRH4 Q9H3N8 2/20 0.41
ATP4A P20648 1/20 0.41
ATP4B P51164 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
SCHEMBL6035212 0.84 PTGDR2 (0.46) ADORA3ADORA2AADORA1ALDH1A1LMNA
SCHEMBL6034638 0.82 PTGER1 (0.43) CNR1CNR2ACHEALDH1A1LMNA
SCHEMBL5401933 0.81 ATP4A (0.45) CNR1CNR2ACHEADORA3ADORA2A
SCHEMBL5397261 0.81 ALDH1A1 (0.41) ADORA3ADORA2AADORA1ALDH1A1LMNA
SCHEMBL5393507 0.81 CNR1 (0.50) CNR1CNR2ACHEALDH1A1LMNA
SCHEMBL4847074 0.81 ALDH1A1 (0.54) CNR1CNR2ACHEADORA1ALDH1A1
SCHEMBL25159793 0.79 ALDH1A1 (0.47) CNR1CNR2ACHEADORA3ADORA2A
SCHEMBL4703265 0.79 ALKBH1 (0.51) ADORA3ALDH1A1LMNAHPGDTSHR
SCHEMBL3085018 0.78 PTGER1 (0.45) CNR1CNR2ACHEALDH1A1LMNA
SCHEMBL12969922 0.78 PKM (0.44) CNR1CNR2ACHEADORA3ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7241785-B2 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-07-10 US disclosed
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-07-06 US disclosed
EP-1513817-A1 1, 2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY Takeda Pharmaceutical Company Limited (JP) 2005-03-16 EP disclosed
WO-2003099793-A9 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL (JP) 2005-02-10 WO disclosed
US-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-04-01 US disclosed
EP-1394154-A1 FIVE-MEMBERED HETEROCYCLIC ALKANOIC ACID DERIVATIVE Takeda Chemical Industries, Ltd. (JP) 2004-03-03 EP disclosed
WO-2003099793-A1 1,2-AZOLE DERIVATIVES WITH HYPOGLYCEMIC AND HYPOLIPIDEMIC ACTIVITY TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-12-04 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 (2 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-20040063775-A1 Five-membered heterocyclic alkanoic acid derivative SLC5A1, AHR, ALOX5 CNR1 200/4885CNR2 343/4885ACHE 4159/4885
US-20060148858-A1 1, 2-Azole derivatives with hypoglycemic and hypolipidemic activity GPR119, SLC5A1, CYP4B1 CNR1 804/4885CNR2 1576/4885ACHE 2653/4885

“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.