SCHEMBL4406715

SCHEMBL4406715

CCCCCOc1cc(C=CC(=O)NCCc2ccc(O)cc2)ccc1OCC

nearest known ligand 0.85

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.85
KDM4E B2RXH2 1/20 0.60
CNR1 P21554 1/20 0.58
POLB P06746 1/20 0.54
HPGD P15428 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.54
MAPT P10636 1/20 0.54
MMP1 P03956 1/20 0.52
MMP2 P08253 1/20 0.52
MMP9 P14780 1/20 0.52
ACHE P22303 2/20 0.52
BCHE P06276 1/20 0.52
MAOA P21397 1/20 0.52
MAOB P27338 1/20 0.52
TYR P14679 1/20 0.52
APP P05067 1/20 0.50
TOP2A P11388 1/20 0.49

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
SCHEMBL4406710 1.00 CNR2 (0.85) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4414627 0.97 CNR2 (0.90) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4414629 0.97 CNR2 (0.90) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4409314 0.92 CNR2 (1.00) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4409310 0.92 CNR2 (1.00) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4414643 0.91 CNR2 (0.98) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4407541 0.91 CNR2 (0.98) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4407536 0.91 CNR2 (0.98) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4414646 0.91 CNR2 (0.98) CNR2KDM4ECNR1POLBHPGD
SCHEMBL4418060 0.89 CNR2 (0.94) CNR2KDM4ECNR1HPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP claimed
EP-2130820-A1 Antipruritics SHIONOGI & CO., LTD. (JP) 2009-12-09 EP disclosed
US-20080312292-A1 Antipruritics YASUI KIYOSHI 2008-12-18 US disclosed
US-20050101590-A1 Cannabinoid receptor agonists SHIONOGI & CO., LTD. (JP) 2005-05-12 US disclosed
EP-1477186-A1 ANTIPRURITICS SHIONOGI & CO., LTD. (JP) 2004-11-17 EP disclosed
WO-2002047691-A9 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2003-11-20 WO disclosed
WO-2002047691-A1 PROTECTION OF NEURONS AGAINST GLUTAMATE-INDUCED DAMAGE IN GLAUCOMA AND OTHER CONDITIONS AYOUB GEORGE S (US) 2002-06-20 WO disclosed
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US disclosed
EP-0887340-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL USE THEREOF Japan Tobacco Inc. (JP) 1998-12-30 EP 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-20050101590-A1 Cannabinoid receptor agonists CNR1, CNR2, OPRL1 CNR2 2/4885KDM4E 2840/4885CNR1 1/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885KDM4E 3245/4885CNR1 1/4885

“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.