SCHEMBL1384185

SCHEMBL1384185

FC(F)(F)c1ccccc1-c1cc2c(nn1)CCCCC2

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 2/20 0.40
CYP3A4 P08684 1/20 0.39
HSD11B1 P28845 2/20 0.39
KMO O15229 2/20 0.38
NOTUM Q6P988 1/20 0.37
ACHE P22303 2/20 0.37
ACP1 P24666 1/20 0.36
SCN9A Q15858 1/20 0.35
TRPA1 O75762 1/20 0.35
TRPM8 Q7Z2W7 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
SCHEMBL1382864 1.00 CNR2 (0.41) CNR2CYP1A2CYP2C19CYP3A4HSD11B1
SCHEMBL1386887 0.83 TRPA1 (0.38) HSD11B1KMOACHETRPA1
SCHEMBL1383468 0.83 AR (0.41) HSD11B1KMOACHESCN9ATRPA1
SCHEMBL1386631 0.83 AR (0.41) HSD11B1KMOACHESCN9ATRPA1
SCHEMBL1383974 0.83 TRPA1 (0.38) HSD11B1KMOACHETRPA1
SCHEMBL1386403 0.82 HSD11B1 (0.34) HSD11B1ACHE
SCHEMBL1383964 0.81 NPC1 (0.38)
SCHEMBL1385607 0.81 NPC1 (0.38)
SCHEMBL2321767 0.80 TRPA1 (0.39) CNR2HSD11B1ACP1SCN9ATRPA1
SCHEMBL1385103 0.80 TRPA1 (0.39) CNR2HSD11B1ACP1SCN9ATRPA1

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
WO-2007003521-A2 PYRIDAZINE DERIVATIVES AS 11BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2007-01-11 WO claimed
US-20070010519-A1 New pyridazines as 11B-HSD1 inhibitors HOFFMANN-LA ROCHE INC. 2007-01-11 US 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 CNR2 1954/4885CYP1A2 48/4885CYP2C19 51/4885

“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.