SCHEMBL4551660

SCHEMBL4551660

CCCCCOc1cc(C(=O)NCCc2ccc(O)cc2)ccc1OCC

nearest known ligand 0.94

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 6/20 0.94
▸ SMPD1 P17405 6/20 0.58
▸ HDAC3 O15379 1/20 0.58
▸ HDAC1 Q13547 1/20 0.58
▸ HDAC2 Q92769 1/20 0.58
▸ GAA P10253 2/20 0.56
▸ KMT2A Q03164 3/20 0.55
▸ ALDH1A1 P00352 1/20 0.55
▸ TP53 P04637 1/20 0.55
▸ MEN1 O00255 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ ESRRG P62508 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 0.97 CNR2 (1.00) CNR2SMPD1HDAC3HDAC1HDAC2
SCHEMBL4410378 0.96 CNR2 (0.98) CNR2SMPD1HDAC3HDAC1HDAC2
SCHEMBL4409426 0.96 CNR2 (0.98) CNR2SMPD1HDAC3HDAC1HDAC2
SCHEMBL4418690 0.94 CNR2 (0.96) CNR2SMPD1HDAC3HDAC1HDAC2
SCHEMBL4407860 0.93 CNR2 (0.93) CNR2SMPD1HDAC3HDAC1HDAC2
SCHEMBL4411452 0.91 CNR2 (1.00) CNR2SMPD1TP53NPC1RAB9A
SCHEMBL4407912 0.90 CNR2 (0.98) CNR2SMPD1TP53NPC1RAB9A
SCHEMBL4411536 0.90 CNR2 (0.98) CNR2SMPD1TP53NPC1RAB9A
SCHEMBL4416455 0.89 CNR2 (0.85) CNR2SMPD1HDAC1GAAKMT2A
SCHEMBL4406752 0.88 CNR2 (0.94) CNR2SMPD1KMT2ATP53MEN1

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 514/4885HDAC3 2087/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885SMPD1 338/4885HDAC3 1172/4885

“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.

Send feedback