SCHEMBL4414629

SCHEMBL4414629

CCCCCOc1ccc(C=CC(=O)NCCc2ccc(O)cc2)cc1OCCCCC

nearest known ligand 0.90

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.90
CNR1 P21554 1/20 0.61
POLB P06746 1/20 0.56
HPGD P15428 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 2/20 0.55
MMP1 P03956 2/20 0.55
MMP2 P08253 2/20 0.55
MMP9 P14780 2/20 0.55
ACHE P22303 2/20 0.55
BCHE P06276 1/20 0.55
MAOA P21397 1/20 0.54
MAOB P27338 1/20 0.54
TYR P14679 1/20 0.54
APP P05067 1/20 0.53
ALDH1A1 P00352 1/20 0.52

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
SCHEMBL4414627 1.00 CNR2 (0.90) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4406710 0.97 CNR2 (0.85) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4406715 0.97 CNR2 (0.85) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4409314 0.95 CNR2 (1.00) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4409310 0.95 CNR2 (1.00) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4414643 0.94 CNR2 (0.98) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4407541 0.94 CNR2 (0.98) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4414646 0.94 CNR2 (0.98) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4407536 0.94 CNR2 (0.98) CNR2CNR1POLBHPGDL3MBTL1
SCHEMBL4418060 0.92 CNR2 (0.94) CNR2CNR1HPGDKDM4EACHE

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 2/4885CNR1 1/4885POLB 4363/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885CNR1 1/4885POLB 4245/4885

“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.