SCHEMBL1044571

SCHEMBL1044571

Cc1c(/C=N/N2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(Cl)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 1.00
OPRL1 P41146 3/20 0.60
CNR2 P34972 3/20 0.55
CYP2C9 P11712 2/20 0.55
KCNH2 Q12809 2/20 0.55
GPR55 Q9Y2T6 2/20 0.55
ABCC4 O15439 1/20 0.55
MLNR O43193 1/20 0.55
ABCB11 O95342 1/20 0.55
CHRM2 P08172 1/20 0.55
ADORA3 P0DMS8 1/20 0.55
ADRA2B P18089 1/20 0.55
ADRA2C P18825 1/20 0.55
DRD1 P21728 1/20 0.55
TBXA2R P21731 1/20 0.55
SLC6A2 P23975 1/20 0.55
HRH2 P25021 1/20 0.55
HTR2A P28223 1/20 0.55
AGTR1 P30556 1/20 0.55
CCKAR P32238 1/20 0.55

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
SCHEMBL1044572 1.00 CNR1 (1.00) CNR1OPRL1CNR2CYP2C9KCNH2
SCHEMBL24208913 0.83 CNR1 (0.71) CNR1OPRL1CNR2KCNH2
SCHEMBL3385634 0.78 CNR1 (0.68) CNR1OPRL1CNR2KCNH2
SCHEMBL24208707 0.78 CNR1 (0.65) CNR1OPRL1CNR2KCNH2
SCHEMBL30513088 0.78 CNR1 (0.68) CNR1OPRL1CNR2KCNH2
SCHEMBL6507802 0.78 OPRL1 (0.67) CNR1OPRL1CNR2CYP2C9KCNH2
SCHEMBL1044903 0.77 CNR1 (1.00) CNR1OPRL1CNR2KCNH2
SCHEMBL1044904 0.77 CNR1 (1.00) CNR1OPRL1CNR2KCNH2
SCHEMBL25278770 0.75 CNR1 (0.69) CNR1CNR2CYP2C9KCNH2GPR55
SCHEMBL25509577 0.74 CNR1 (0.66) CNR1OPRL1CNR2CYP2C9KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (1 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 24/4885CNR2 154/4885

“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.