SCHEMBL4409626

SCHEMBL4409626

COc1ccc(C(=O)NCCc2ccc(O)cc2)cc1OCCCCO

nearest known ligand 0.84

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 4/20 0.84
▸ SMPD1 P17405 6/20 0.64
▸ NPC1 O15118 1/20 0.61
▸ RAB9A P51151 1/20 0.61
▸ TSHR P16473 1/20 0.57
▸ TP53 P04637 1/20 0.55
▸ DNMT3A Q9Y6K1 1/20 0.54
▸ GAA P10253 1/20 0.53
▸ KMT2A Q03164 1/20 0.51
▸ ROCK2 O75116 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ ROCK1 Q13464 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50

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
SCHEMBL4411452 0.91 CNR2 (1.00) CNR2SMPD1NPC1RAB9ATSHR
SCHEMBL4411536 0.90 CNR2 (0.98) CNR2SMPD1NPC1RAB9ATSHR
SCHEMBL4407912 0.90 CNR2 (0.98) CNR2SMPD1NPC1RAB9ATSHR
SCHEMBL4406752 0.90 CNR2 (0.94) CNR2SMPD1NPC1RAB9ATSHR
SCHEMBL4552004 0.86 CNR2 (0.76) CNR2SMPD1NPC1RAB9ATSHR
SCHEMBL4407777 0.85 CNR2 (1.00) CNR2SMPD1NPC1RAB9AKMT2A
SCHEMBL4410378 0.84 CNR2 (0.98) CNR2SMPD1NPC1RAB9AKMT2A
SCHEMBL4409426 0.84 CNR2 (0.98) CNR2SMPD1NPC1RAB9AKMT2A
SCHEMBL4407860 0.84 CNR2 (0.93) CNR2SMPD1NPC1RAB9AGAA
SCHEMBL11708595 0.84 RAB9A (0.73) CNR2NPC1RAB9ATSHRDNMT3A

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 514/4885NPC1 1799/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885SMPD1 338/4885NPC1 2141/4885

“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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