SCHEMBL4411237

SCHEMBL4411237

CCCCCOc1cc(C(=O)NCCc2ccc(O)c(OC)c2)ccc1O

nearest known ligand 0.74

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.74
▸ SMPD1 P17405 6/20 0.61
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC6 Q9UBN7 1/20 0.58
▸ CYP1A2 P05177 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CYP2C8 P10632 1/20 0.54
▸ CYP2C9 P11712 1/20 0.54
▸ CYP2B6 P20813 1/20 0.54
▸ CYP2C19 P33261 1/20 0.54
▸ MTNR1A P48039 1/20 0.53
▸ MTNR1B P49286 1/20 0.53

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
SCHEMBL4407883 0.89 CNR2 (0.81) CNR2SMPD1
SCHEMBL4416455 0.89 CNR2 (0.85) CNR2SMPD1HDAC1HDAC6CYP1A2
SCHEMBL4411452 0.85 CNR2 (1.00) CNR2SMPD1
SCHEMBL4407912 0.84 CNR2 (0.98) CNR2SMPD1
SCHEMBL4411536 0.84 CNR2 (0.98) CNR2SMPD1
SCHEMBL1042188 0.84 SMPD1 (0.60) CNR2SMPD1
SCHEMBL4408738 0.83 CNR2 (0.84) CNR2SMPD1
SCHEMBL10958244 0.82 SMPD1 (0.62) SMPD1
SCHEMBL2800438 0.82 SMPD1 (0.62) SMPD1
SCHEMBL598032 0.82 SMPD1 (0.62) SMPD1

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 2/4885SMPD1 514/4885HDAC1 2660/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885SMPD1 338/4885HDAC1 1287/4885

“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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