SCHEMBL4408455

SCHEMBL4408455

CCCCCOc1c(OC)ccc2c(=O)n(CCc3ccncc3)c(=O)[nH]c12

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.63
IMPDH2 P12268 2/20 0.47
CNR1 P21554 3/20 0.42
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
ADRA1A P35348 1/20 0.40
ADRA1B P35368 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL8089503 0.91 CNR2 (0.61) CNR2IMPDH2MAPT
SCHEMBL4411502 0.89 CNR2 (0.63) CNR2CNR1KDM4EMAPTPOLB
SCHEMBL4409113 0.89 CNR2 (0.55) CNR2CNR1KDM4EPOLB
Hydrochloric Acid SCHEMBL8085888 0.88 CNR2 (0.54) CNR2CNR1KDM4EPOLB
SCHEMBL4414324 0.87 CNR2 (0.49) CNR2CNR1KDM4EMAPTADRA1A
SCHEMBL4406833 0.87 CNR2 (0.49) CNR2CNR1KDM4EMAPTPOLB
SCHEMBL4407550 0.85 CNR2 (0.53) CNR2CNR1KDM4EPOLB
SCHEMBL4411477 0.77 CNR2 (1.00) CNR2POLB
SCHEMBL8085930 0.77 CNR2 (0.74) CNR2KDM4EMAPTPOLB
Hydrochloric Acid SCHEMBL4409934 0.77 CNR2 (0.98) CNR2POLB

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6017919-A Compounds and pharmaceutical use thereof JAPAN TOBACCO INC. (JP) 2000-01-25 US claimed
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 2/4885IMPDH2 4720/4885CNR1 1/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885IMPDH2 4197/4885CNR1 1/4885

“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.