SCHEMBL1386403

SCHEMBL1386403

FC(F)(F)c1ccc(Cl)cc1-c1cc2c(nn1)CCCCCC2

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.34
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
ALDH1A1 P00352 1/20 0.32
MAPK1 P28482 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
ACHE P22303 3/20 0.32
BCHE P06276 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
GRM5 P41594 1/20 0.32
JAK2 O60674 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HTT P42858 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
SORT1 Q99523 1/20 0.31

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
SCHEMBL1386887 0.85 TRPA1 (0.38) HSD11B1HTR2CACHEBCHEGRIN1
SCHEMBL1383974 0.85 TRPA1 (0.38) HSD11B1HTR2CACHEBCHEGRIN1
SCHEMBL1384185 0.82 CNR2 (0.41) HSD11B1ACHE
SCHEMBL1382864 0.82 CNR2 (0.41) HSD11B1ACHE
SCHEMBL1383468 0.77 AR (0.41) HSD11B1HTR2CACHEBCHEGRIN1
SCHEMBL1386631 0.77 AR (0.41) HSD11B1HTR2CACHEBCHEGRIN1
SCHEMBL1386065 0.77 HSD11B1 (0.35) HSD11B1TMPRSS4GRM5JAK2HTT
SCHEMBL1386553 0.77 NOTUM (0.39) HSD11B1HTR2CHTR2BALDH1A1MAPK1
SCHEMBL1383142 0.77 NOTUM (0.39) HSD11B1HTR2CHTR2BALDH1A1MAPK1
SCHEMBL1384543 0.74 LMNA (0.39) ALDH1A1ACHEKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HSD11B1 1/4885HTR2C 338/4885HTR2B 222/4885

“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.