SCHEMBL4418690

SCHEMBL4418690

CCCCCOc1cc(C(=O)NCCc2ccc(O)cc2)ccc1OCCC

nearest known ligand 0.96

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.96
▸ SMPD1 P17405 6/20 0.59
▸ NPC1 O15118 3/20 0.52
▸ RAB9A P51151 3/20 0.52
▸ MAPT P10636 1/20 0.52
▸ NFKB1 P19838 1/20 0.52
▸ NFKB2 Q00653 1/20 0.52
▸ RELA Q04206 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ MEN1 O00255 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ESRRG P62508 3/20 0.51
▸ ESRRB O95718 2/20 0.50
▸ HDAC3 O15379 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC2 Q92769 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
SCHEMBL4407777 0.98 CNR2 (1.00) CNR2SMPD1NPC1RAB9AMEN1
SCHEMBL4409426 0.97 CNR2 (0.98) CNR2SMPD1NPC1RAB9AMEN1
SCHEMBL4410378 0.97 CNR2 (0.98) CNR2SMPD1NPC1RAB9AMEN1
SCHEMBL4551660 0.94 CNR2 (0.94) CNR2SMPD1NPC1RAB9AMEN1
SCHEMBL4407860 0.94 CNR2 (0.93) CNR2SMPD1NPC1RAB9AMAPT
SCHEMBL4411452 0.92 CNR2 (1.00) CNR2SMPD1NPC1RAB9A
SCHEMBL4411536 0.91 CNR2 (0.98) CNR2SMPD1NPC1RAB9A
SCHEMBL4407912 0.91 CNR2 (0.98) CNR2SMPD1NPC1RAB9A
SCHEMBL4416455 0.90 CNR2 (0.85) CNR2SMPD1NPC1RAB9AMAPT
SCHEMBL4406752 0.89 CNR2 (0.94) CNR2SMPD1NPC1RAB9AMEN1

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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