SCHEMBL1384167

SCHEMBL1384167

FC(F)(F)c1ccccc1-c1cc(C2CC2)c(C2CC2)nn1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.47
CNR2 P34972 1/20 0.41
HTR2C P28335 2/20 0.41
CYP1A2 P05177 5/20 0.39
CYP3A4 P08684 3/20 0.39
HSD11B1 P28845 1/20 0.39
KMO O15229 1/20 0.38
CYP2C19 P33261 4/20 0.37
NOTUM Q6P988 4/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
ACP1 P24666 1/20 0.36
CYP2C9 P11712 1/20 0.36
RBP4 P02753 1/20 0.35

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
SCHEMBL2325632 0.92 TRPA1 (0.43) TRPA1CNR2HTR2CCYP1A2CYP3A4
SCHEMBL1549035 0.83 AR (0.41) TRPA1NOTUMRBP4
SCHEMBL27755210 0.76 CNR2 (0.51) TRPA1CNR2HTR2CCYP1A2CYP3A4
SCHEMBL2322258 0.76 NOTUM (0.34) TRPA1NOTUMRBP4
SCHEMBL2325391 0.76 AR (0.40) TRPA1NOTUM
SCHEMBL2325071 0.75 ACHE (0.34) TRPA1HSD11B1NOTUMRBP4
SCHEMBL28159874 0.73 HTR2C (0.56) TRPA1HTR2CHSD11B1RBP4
SCHEMBL2323614 0.72 NPC1 (0.36)
SCHEMBL2321655 0.72 CNR2 (0.43) TRPA1CNR2HSD11B1
SCHEMBL2324690 0.72 TRPA1 (0.35) TRPA1CNR2ACP1RBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101528713-B Pyridazine derivatives as inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 HOFFMANN LA ROCHE 2013-05-22 CN claimed
JP-4787321-B2 2011-10-05 JP claimed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP claimed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP claimed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US claimed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO claimed
CN-101528713-B Pyridazine derivatives as inhibitors of 11 beta-hydroxysteroid dehydrogenase type 1 HOFFMANN LA ROCHE 2013-05-22 CN disclosed
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP disclosed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US disclosed
EP-1904455-A2 PYRIDAZINE DERIVATIVES F. Hoffmann-Roche AG (CH) 2008-04-02 EP disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO disclosed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 TRPA1 4582/4885CNR2 1954/4885HTR2C 338/4885

“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.