SCHEMBL1386065

SCHEMBL1386065

CC1(C)Cc2cc(-c3cc(Cl)ccc3C(F)(F)F)nnc2C1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.35
IL1B P01584 1/20 0.34
OPRM1 P35372 1/20 0.33
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32
NOS2 P35228 1/20 0.32
IDH1 O75874 1/20 0.32
CYP11B2 P19099 1/20 0.31
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
GRM5 P41594 1/20 0.31
HTT P42858 1/20 0.31
TMPRSS4 Q9NRS4 1/20 0.30
JAK2 O60674 1/20 0.30
SLC40A1 Q9NP59 1/20 0.30
IDO1 P14902 1/20 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
SCHEMBL1383970 0.83 CYP1A2 (0.41) HSD11B1
SCHEMBL1383412 0.83 CNR2 (0.39) OPRM1CYP11B2MAOAMAOBGRM5
SCHEMBL1383819 0.80 TRPA1 (0.37) HSD11B1CYP11B2GRM5IDO1
SCHEMBL1386403 0.77 HSD11B1 (0.34) HSD11B1NOS3NOS1NOS2GRM5
SCHEMBL2325071 0.65 ACHE (0.34) HSD11B1NOS3NOS1NOS2
SCHEMBL1386887 0.65 TRPA1 (0.38) HSD11B1
SCHEMBL1383974 0.65 TRPA1 (0.38) HSD11B1
SCHEMBL28239064 0.61 MAPK10 (0.43) HSD11B1GRM5TMPRSS4JAK2SLC40A1
SCHEMBL4496996 0.61 ALDH1A1 (0.35) HTT
SCHEMBL11529129 0.61 HTR2A (0.42)

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
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US disclosed
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 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-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HSD11B1, HSD17B1, HSD17B11 HSD11B1 1/4885IL1B 292/4885OPRM1 3091/4885

“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.