SCHEMBL4411503

SCHEMBL4411503

COc1ccc(C=CC(=O)NCCc2ccc(O)cc2)cc1OCCC(C)C

nearest known ligand 0.78

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.78
▸ MAOA P21397 1/20 0.58
▸ MAOB P27338 1/20 0.58
▸ TYR P14679 1/20 0.58
▸ ACHE P22303 1/20 0.58
▸ MAPT P10636 4/20 0.57
▸ KDM4E B2RXH2 4/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ PKM P14618 1/20 0.57
▸ LMNA P02545 2/20 0.56
▸ CNR1 P21554 1/20 0.55
▸ ALOX5 P09917 1/20 0.55
▸ HPGD P15428 1/20 0.54
▸ HTT P42858 1/20 0.54

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
SCHEMBL4411500 1.00 CNR2 (0.78) CNR2MAOAMAOBTYRACHE
SCHEMBL4418060 0.88 CNR2 (0.94) CNR2MAOAMAOBTYRACHE
SCHEMBL4418052 0.88 CNR2 (0.94) CNR2MAOAMAOBTYRACHE
SCHEMBL17956818 0.88 CNR2 (0.79) CNR2MAOAMAOBTYRACHE
SCHEMBL28994634 0.88 CNR2 (0.79) CNR2MAOAMAOBTYRACHE
SCHEMBL17956817 0.88 CNR2 (0.79) CNR2MAOAMAOBTYRACHE
SCHEMBL30354371 0.88 CNR2 (0.79) CNR2MAOAMAOBTYRACHE
SCHEMBL4409310 0.87 CNR2 (1.00) CNR2MAOAMAOBTYRACHE
SCHEMBL4409314 0.87 CNR2 (1.00) CNR2MAOAMAOBTYRACHE
SCHEMBL4407541 0.86 CNR2 (0.98) CNR2MAOAMAOBTYRACHE

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 10 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-20020077322-A1 Protection of neurons against glutamate-induced damage in glaucoma and other conditions AYOUB GEORGE S (US) 2002-06-20 — — US 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 2/4885MAOA 3040/4885MAOB 3513/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885MAOA 1923/4885MAOB 2167/4885

“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.

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