SCHEMBL4612148

SCHEMBL4612148

N#Cc1c(C(=O)NN2CCCCC2)nn(-c2ccc(Cl)cc2Cl)c1-c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 15/20 0.80
CNR2 P34972 3/20 0.60
OPRM1 P35372 3/20 0.60
OPRK1 P41145 3/20 0.60
HTR1A P08908 2/20 0.60
TSPO P30536 2/20 0.60
ABCC4 O15439 1/20 0.57
MLNR O43193 1/20 0.57
ABCB11 O95342 1/20 0.57
CHRM2 P08172 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2C9 P11712 1/20 0.57
ADRA2B P18089 1/20 0.57
ADRA2C P18825 1/20 0.57
DRD1 P21728 1/20 0.57
TBXA2R P21731 1/20 0.57
SLC6A2 P23975 1/20 0.57
HRH2 P25021 1/20 0.57
HTR2A P28223 1/20 0.57
AGTR1 P30556 1/20 0.57

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
SCHEMBL3821122 0.88 CNR1 (0.78) CNR1CNR2OPRM1OPRK1ABCC4
SCHEMBL3825752 0.87 CNR1 (1.00) CNR1CNR2OPRM1OPRK1ABCC4
Jhu-75528 SCHEMBL31038583 0.86 CNR1 (1.00) CNR1CNR2OPRM1OPRK1HTR1A
SCHEMBL5707238 0.86 CNR1 (0.75) CNR1CNR2OPRM1OPRK1ABCC4
SCHEMBL4662687 0.86 CNR1 (0.58) CNR1CNR2
SCHEMBL4612839 0.86 CNR1 (0.91) CNR1CNR2OPRM1OPRK1ABCC4
SCHEMBL10170758 0.85 CNR1 (1.00) CNR1CNR2OPRM1OPRK1ABCC4
SCHEMBL5345390 0.84 CNR1 (1.00) CNR1CNR2OPRM1OPRK1ABCC4
SCHEMBL660638 0.82 CNR1 (0.80) CNR1CNR2OPRM1OPRK1ABCC4
SCHEMBL4791922 0.82 KDM4E (0.57) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators ASTRAZENECA AB (SE) 2008-11-20 US disclosed
EP-1910331-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS AstraZeneca AB (SE) 2008-04-16 EP disclosed
WO-2007010217-A1 PYRAZOLE DERIVATIVES AS CBl MODULATORS ASTRAZENECA AB (SE) 2007-01-25 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-20080287517-A1 Pyrazole Derivatives as Cb1 Modulators CNR1, CNR2, HTR3C CNR1 1/4885CNR2 2/4885OPRM1 34/4885

“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.