SCHEMBL763017

SCHEMBL763017

Cc1c(C(=O)NN2CCCCC2)nc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1Cl

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 17/20 1.00
CNR2 P34972 16/20 1.00
ABCC4 O15439 1/20 0.66
MLNR O43193 1/20 0.66
ABCB11 O95342 1/20 0.66
CHRM2 P08172 1/20 0.66
ADORA3 P0DMS8 1/20 0.66
CYP2C9 P11712 1/20 0.66
ADRA2B P18089 1/20 0.66
ADRA2C P18825 1/20 0.66
DRD1 P21728 1/20 0.66
TBXA2R P21731 1/20 0.66
SLC6A2 P23975 1/20 0.66
HRH2 P25021 1/20 0.66
HTR2A P28223 1/20 0.66
AGTR1 P30556 1/20 0.66
CCKAR P32238 1/20 0.66
CCKBR P32239 1/20 0.66
MC4R P32245 1/20 0.66
ABCC1 P33527 1/20 0.66

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
SCHEMBL6700855 0.85 CNR1 (0.77) CNR1CNR2
SCHEMBL4511060 0.82 CNR1 (1.00) CNR1CNR2
SCHEMBL675659 0.82 CNR1 (1.00) CNR1CNR2
SCHEMBL4508279 0.81 CNR1 (1.00) CNR1CNR2
SCHEMBL2627868 0.81 CNR1 (0.78) CNR1CNR2
Dimethylamine SCHEMBL1041936 0.81 CNR1 (0.96) CNR1CNR2
SCHEMBL6700895 0.79 CNR1 (0.85) CNR1CNR2
Rimonabant SCHEMBL29373177 0.79 CNR1 (1.00) CNR1CNR2ABCC4MLNRABCB11
Rimonabant SCHEMBL38637 0.79 CNR1 (1.00) CNR1CNR2ABCC4MLNRABCB11
SCHEMBL4513537 0.79 CNR2 (0.65) CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8729101-B2 1H-imidazole derivative having CB1, agonistic, CB1 partial agonistic or CB1 antagnistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2014-05-20 US claimed
EP-1438296-B1 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-11-26 EP claimed
US-8729101-B2 1H-imidazole derivative having CB1, agonistic, CB1 partial agonistic or CB1 antagnistic activity SOLVAY PHARMACEUTICALS, B.V. (NL) 2014-05-20 US disclosed
US-8138174-B2 Such as N-{1-[7-(2-amino-ethoxyimino)-7-[4-(trifluoromethyl)phenyl]heptylamino]-1-[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-methylidene)-4-chloro-benzenesulfonamide; pain. psychosis, anxiety, depression, attention deficits, cognitive disorders, obesity; neurodegenerative disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2012-03-20 US disclosed
US-8138174-B2 Such as N-{1-[7-(2-amino-ethoxyimino)-7-[4-(trifluoromethyl)phenyl]heptylamino]-1-[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazol-1-yl]-methylidene)-4-chloro-benzenesulfonamide; pain. psychosis, anxiety, depression, attention deficits, cognitive disorders, obesity; neurodegenerative disorders SOLVAY PHARMACEUTICALS B.V. (NL) 2012-03-20 US disclosed
US-8063062-B2 Alzheimer's disease, cognitive disorders, memory disorders, dementia, attention deficit disorder, traumatic brain injury, drug dependence, addiction; -chloro-N-{[3-(4-chlorophenyl)-4-phenyl-4,5-dihydro-1H-pyrazolyl]-[7-(1,2,3,4-tetrahydroacridin-9-ylamino)heptylamino]methylene}benzene-sulfonamide SOLVAY PHARMACEUTICALS B.V. (NL) 2011-11-22 US disclosed
EP-2091939-B1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND ACETYLCHOLINESTERASE INHIBITION ABBOTT HEALTHCARE PRODUCTS BV (NL) 2011-03-16 EP disclosed
US-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. 2009-07-16 US disclosed
EP-1438296-B1 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARM BV (NL) 2008-11-26 EP disclosed
US-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2008-09-04 US disclosed
US-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2008-09-04 US disclosed
WO-2008084057-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-07-17 WO disclosed
US-20080153867-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND ACETYLCHOLINESTERASE INHIBITION SOLVAY PHARMACEUTICALS B.V. 2008-06-26 US disclosed
WO-2008074816-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND ACETYLCHOLINESTERASE INHIBITION SOLVAY PHARMACEUTICALS B.V. (NL) 2008-06-26 WO disclosed
US-7109216-B2 1H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2006-09-19 US disclosed
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity SOLVAY PHARMACEUTICALS B.V. 2005-03-10 US disclosed
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity SOLVAY PHARMACEUTICALS B.V. (NL) 2004-11-25 US disclosed
EP-1438296-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY Solvay Pharmaceuticals B.V. (NL) 2004-07-21 EP disclosed
WO-2003027076-A2 1H-IMIDAZOLE DERIVATIVES HAVING CB1 AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1- ANTAGONISTIC ACTIVITY SOLVAY PHARMACEUTICALS B.V. (NL) 2003-04-03 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 (5 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-20090181949-A1 1H-IMIDAZOLE DERIVATIVE HAVING CB1, AGONISTIC, CB1 PARTIAL AGONISTIC OR CB1 ANTAGNISTIC ACTIVITY CNR1, CNR2, CHRM1 CNR1 1/4885CNR2 2/4885ABCC4 1796/4885
US-20080153867-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID-CB1 ANTAGONISM AND ACETYLCHOLINESTERASE INHIBITION ACHE, BACE1, BCHE CNR1 4/4885CNR2 5/4885ABCC4 1297/4885
US-20040235854-A1 1H-imidazole derivatives having cb1 agonistic, cb1 partial agonistic or cb1 antagonistic activity CNR1, CNR2, CHRM1 CNR1 1/4885CNR2 2/4885ABCC4 2655/4885
US-20050054679-A1 1 H-imidazole derivatives having CB1 agonistic, CB1 partial agonistic or CB1-antagonistic activity CNR1, CNR2, HRH4 CNR1 1/4885CNR2 2/4885ABCC4 2304/4885
US-20080214559-A1 COMPOUNDS WITH A COMBINATION OF CANNABINOID CB1 ANTAGONISM AND SEROTONIN REUPTAKE INHIBITION CNR1, OPRL1, CNR2 CNR1 1/4885CNR2 3/4885ABCC4 1258/4885

“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.