SCHEMBL3561545

SCHEMBL3561545

CCc1nc(C(F)(F)F)ccc1Cc1nnc2cc(-c3ccc(Cl)cc3)c(-c3ccccc3F)cn12

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.36
PTGS2 P35354 2/20 0.33
PTGS1 P23219 1/20 0.32
MAPK1 P28482 1/20 0.32
APEX1 P27695 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
HSD11B1 P28845 2/20 0.31
TP53 P04637 1/20 0.30
POLB P06746 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
NR1H2 P55055 2/20 0.30
NR1H3 Q13133 2/20 0.30

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
SCHEMBL4393894 0.90 CNR1 (0.38) CNR1PTGS2PTGS1MAPK1APEX1
SCHEMBL4391927 0.82 CNR1 (0.38) CNR1PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL3550790 0.82 CNR1 (0.38) CNR1PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL4401893 0.79 SCN5A (0.40) CNR1PTGS2CYP3A4CYP2C9CYP2C19
SCHEMBL3552421 0.77 CNR1 (0.39) CNR1PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL4398426 0.76 CNR1 (0.40) CNR1PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL3558221 0.76 CNR1 (0.40) CNR1PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL3554025 0.74 CNR1 (0.40) CNR1PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL4394756 0.73 SCN5A (0.39) CNR1PTGS2PTGS1CYP3A4CYP2C9
SCHEMBL4398884 0.73 CNR1 (0.36) CNR1CYP3A4CYP2C9CYP2C19NR1H2

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 2 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-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-02-25 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 (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-20100048612-A1 BICYCLIC HETEROCYCLES AS CANNABINOID-1 RECEPTOR MODULATORS CNR1, CNR2, GPR18 CNR1 1/4885PTGS2 2007/4885PTGS1 877/4885

“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.