SCHEMBL3555892

SCHEMBL3555892

FC(F)(F)c1ccc(Cc2nnc3cc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4Cl)cn23)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.36
CYP3A4 P08684 2/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
MET P08581 1/20 0.34
GRM2 Q14416 1/20 0.33
NR1H2 P55055 1/20 0.33
NR1H3 Q13133 1/20 0.33
P2RX7 Q99572 1/20 0.33
KIT P10721 2/20 0.32
CNR2 P34972 1/20 0.32
LCK P06239 1/20 0.32
PGR P06401 1/20 0.32
CSF1R P07333 1/20 0.32
CHRM2 P08172 1/20 0.32
HTR1A P08908 1/20 0.32
ADRA2A P08913 1/20 0.32
PDGFRB P09619 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
CHRM1 P11229 1/20 0.32

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
SCHEMBL4398884 0.92 CNR1 (0.36) CNR1CYP3A4CYP2C9CYP2C19MET
SCHEMBL3557938 0.85 CNR1 (0.38) CNR1CYP3A4CYP2C9CYP2C19MET
SCHEMBL3552421 0.81 CNR1 (0.39) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL3558221 0.76 CNR1 (0.40) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL13593484 0.76 DGAT2 (0.40) CNR1CYP3A4CYP2C9CYP2C19MET
SCHEMBL4394756 0.74 SCN5A (0.39) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4391927 0.73 CNR1 (0.38) CNR1CYP3A4CYP2C9CYP2C19NR1H2
SCHEMBL4398426 0.71 CNR1 (0.40) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL4393894 0.69 CNR1 (0.38) CNR1CYP3A4CYP2C9CYP2C19
SCHEMBL3551794 0.69 SCN5A (0.37) CNR1CNR2ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7858639-B2 [1,2,4]triazolo[4,3-a]pyridazine derivatives such as 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine, used for the treatment of obesity and hyperlipemia, or as antidiabetic, antilipemic, anticholesterol and hypotensive agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-28 US disclosed
US-7858639-B2 [1,2,4]triazolo[4,3-a]pyridazine derivatives such as 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine, used for the treatment of obesity and hyperlipemia, or as antidiabetic, antilipemic, anticholesterol and hypotensive agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-28 US disclosed
US-7858639-B2 [1,2,4]triazolo[4,3-a]pyridazine derivatives such as 6-(2-chlorophenyl)-7-(4-chlorophenyl)-3-[[2-methyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyridine, used for the treatment of obesity and hyperlipemia, or as antidiabetic, antilipemic, anticholesterol and hypotensive agents BRISTOL-MYERS SQUIBB COMPANY (US) 2010-12-28 US disclosed
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-25 US disclosed
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-25 US disclosed
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-25 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
US-7632837-B2 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2009-12-15 US disclosed
WO-2006138657-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2006-12-28 WO disclosed
US-20060287324-A1 Bicyclic heterocycles as cannabinoid-1 receptor modulators BRISTOL-MYERS SQUIBB COMPANY 2006-12-21 US 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-20060287324-A1 Bicyclic heterocycles as cannabinoid-1 receptor modulators CNR1, CNR2, GPR18 CNR1 1/4885CYP3A4 564/4885CYP2C9 311/4885
US-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 CNR1 1/4885CYP3A4 564/4885CYP2C9 311/4885

“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.