SCHEMBL4415364

SCHEMBL4415364

CCCCCOc1c(OC)ccc2c(=O)n(CCc3ccc(C)cc3)ccc12

nearest known ligand 0.83

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.83
GRM2 Q14416 6/20 0.48
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41

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
SCHEMBL4407773 0.91 CNR2 (0.81) CNR2GRM2MTNR1AMTNR1BPSEN1
SCHEMBL4408457 0.91 CNR2 (1.00) CNR2GRM2MTNR1AMTNR1B
SCHEMBL4415634 0.91 CNR2 (0.81) CNR2GRM2MTNR1AMTNR1BPSEN1
Hydrochloric Acid SCHEMBL4408555 0.90 CNR2 (0.80) CNR2GRM2MTNR1AMTNR1BPSEN1
SCHEMBL4417459 0.89 CNR2 (0.79) CNR2GRM2MTNR1AMTNR1BPSEN1
SCHEMBL4410489 0.89 CNR2 (0.79) CNR2GRM2MTNR1AMTNR1BPSEN1
SCHEMBL4411477 0.89 CNR2 (1.00) CNR2GRM2MTNR1AMTNR1BPSEN1
Hydrochloric Acid SCHEMBL4409934 0.88 CNR2 (0.98) CNR2GRM2MTNR1AMTNR1BPSEN1
SCHEMBL4409636 0.87 CNR2 (0.76) CNR2GRM2MTNR1AMTNR1B
SCHEMBL4409331 0.86 CNR2 (0.78) CNR2GRM2MTNR1AMTNR1B

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 2/4885GRM2 574/4885MTNR1A 79/4885
US-20080312292-A1 Antipruritics CNR1, CNR2, OPRL1 CNR2 2/4885GRM2 572/4885MTNR1A 51/4885

“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.