SCHEMBL4409447

SCHEMBL4409447

COc1ccc(C(=O)NCCc2ccc(O)cc2)cc1CCCC(C)C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 3/20 0.60
▸ RAB9A P51151 4/20 0.54
▸ NPC1 O15118 3/20 0.54
▸ DNMT3A Q9Y6K1 1/20 0.53
▸ ESRRG P62508 2/20 0.51
▸ TSHR P16473 1/20 0.51
▸ MAP1LC3B Q9GZQ8 1/20 0.51
▸ MAP1LC3A Q9H492 1/20 0.51
▸ GAA P10253 2/20 0.49
▸ ESRRB O95718 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ HTT P42858 1/20 0.48
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ GFER P55789 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ GCGR P47871 1/20 0.47
▸ HDAC1 Q13547 1/20 0.47

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
SCHEMBL4407748 0.86 CNR2 (0.74) CNR2RAB9ANPC1DNMT3AESRRG
SCHEMBL4552004 0.83 CNR2 (0.76) CNR2RAB9ANPC1DNMT3AESRRG
SCHEMBL11708595 0.78 RAB9A (0.73) CNR2RAB9ANPC1DNMT3ATSHR
SCHEMBL4488518 0.77 GAA (0.79) CNR2RAB9ANPC1TSHRGAA
SCHEMBL4406752 0.76 CNR2 (0.94) CNR2RAB9ANPC1DNMT3ATSHR
SCHEMBL4409626 0.75 CNR2 (0.84) CNR2RAB9ANPC1DNMT3ATSHR
SCHEMBL4411452 0.75 CNR2 (1.00) CNR2RAB9ANPC1TSHR
SCHEMBL4415643 0.74 CNR2 (0.72) CNR2RAB9ANPC1DNMT3AESRRG
SCHEMBL4414307 0.74 CNR2 (0.72) CNR2RAB9ANPC1DNMT3ATSHR
SCHEMBL4411536 0.74 CNR2 (0.98) CNR2RAB9ANPC1TSHR

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 2/4885RAB9A 1986/4885NPC1 1799/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885RAB9A 3433/4885NPC1 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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