SCHEMBL1044903

SCHEMBL1044903

Cc1c(/C=C/C2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 1.00
OPRL1 P41146 3/20 0.58
KCNH2 Q12809 1/20 0.57
CNR2 P34972 2/20 0.56

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
SCHEMBL1044904 1.00 CNR1 (1.00) CNR1OPRL1KCNH2CNR2
SCHEMBL13315383 0.94 CNR1 (0.89) CNR1OPRL1KCNH2CNR2
SCHEMBL25509577 0.79 CNR1 (0.66) CNR1OPRL1KCNH2CNR2
SCHEMBL25283366 0.79 CNR1 (0.64) CNR1OPRL1CNR2
SCHEMBL24208707 0.78 CNR1 (0.65) CNR1OPRL1KCNH2CNR2
SCHEMBL3385634 0.78 CNR1 (0.68) CNR1OPRL1KCNH2CNR2
SCHEMBL30513088 0.78 CNR1 (0.68) CNR1OPRL1KCNH2CNR2
SCHEMBL1044572 0.77 CNR1 (1.00) CNR1OPRL1KCNH2CNR2
SCHEMBL1044571 0.77 CNR1 (1.00) CNR1OPRL1KCNH2CNR2
SCHEMBL24208913 0.76 CNR1 (0.71) CNR1OPRL1KCNH2CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2739262-B1 USE OF A CB1 RECEPTOR ANTAGONIST AS A WHITENING AND/OR ANTI-BROWNING AGENT FOR KERATIN MATERIAL OREAL (FR) 2017-09-27 EP claimed
EP-2739262-B1 USE OF A CB1 RECEPTOR ANTAGONIST AS A WHITENING AND/OR ANTI-BROWNING AGENT FOR KERATIN MATERIAL OREAL (FR) 2017-09-27 EP disclosed
US-9662320-B2 Antagonists of the cannabinoid receptor CB1 for use in the treatment of diseases associated with neuronal dendritic abnormalities UNIVERSITAT POMPEU FABRA (ES) 2017-05-30 US disclosed
US-9662320-B2 Antagonists of the cannabinoid receptor CB1 for use in the treatment of diseases associated with neuronal dendritic abnormalities UNIVERSITAT POMPEU FABRA (ES) 2017-05-30 US disclosed
US-9662320-B2 Antagonists of the cannabinoid receptor CB1 for use in the treatment of diseases associated with neuronal dendritic abnormalities UNIVERSITAT POMPEU FABRA (ES) 2017-05-30 US disclosed
US-9622995-B2 Treatment of disorders associated with G protein-coupled receptor 35 (GPR35) Temple University—Of the Commonwealth System of Higher Education (US) 2017-04-18 US disclosed
US-20160067235-A1 Antagonists of the Cannabinoid Receptor CB1 for Use in the Treatment of Diseases Associated with Neuronal Dendritic Abnormalities UNIVERSITAT POMPEU FABRA (ES) 2016-03-10 US disclosed
US-20160067235-A1 Antagonists of the Cannabinoid Receptor CB1 for Use in the Treatment of Diseases Associated with Neuronal Dendritic Abnormalities UNIVERSITAT POMPEU FABRA (ES) 2016-03-10 US disclosed
US-20160067235-A1 Antagonists of the Cannabinoid Receptor CB1 for Use in the Treatment of Diseases Associated with Neuronal Dendritic Abnormalities UNIVERSITAT POMPEU FABRA (ES) 2016-03-10 US disclosed
US-20150265561-A1 TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35) NATIONAL INSTITUTES OF HEALTH 2015-09-24 US disclosed
US-9040583-B2 Treatment of disorders associated with G protein-coupled receptor 35 (GPR35) TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-05-26 US disclosed
US-20120122987-A1 TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35) TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2012-05-17 US disclosed
WO-2011011235-A1 TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35) TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2011-01-27 WO 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 (3 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-20120122987-A1 TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35) GPR35, GPR68, GRM5 CNR1 212/4885OPRL1 24/4885KCNH2 2614/4885
US-20150265561-A1 TREATMENT OF DISORDERS ASSOCIATED WITH G PROTEIN-COUPLED RECEPTOR 35 (GPR35) GPR35, GPR68, GRM5 CNR1 212/4885OPRL1 24/4885KCNH2 2614/4885
US-20160067235-A1 Antagonists of the Cannabinoid Receptor CB1 for Use in the Treatment of Diseases Associated with Neuronal Dendritic Abnormalities CNR1, CNR2, DBN1 CNR1 1/4885OPRL1 55/4885KCNH2 3679/4885

“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.