SCHEMBL1383468

SCHEMBL1383468

Fc1ccc(-c2cc3c(nn2)CCCCC3)c(C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.41
TRPA1 O75762 1/20 0.38
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.34
WDR5 P61964 2/20 0.33
PTPRB P23467 1/20 0.33
SCN9A Q15858 1/20 0.33
HSD11B1 P28845 1/20 0.32
BCHE P06276 1/20 0.32
ACHE P22303 1/20 0.32
GRIN1 Q05586 1/20 0.32
GRIN2A Q12879 1/20 0.32
KMO O15229 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
SCHEMBL1386631 1.00 AR (0.41) ARTRPA1KMT2AHTR2CWDR5
SCHEMBL1383974 0.89 TRPA1 (0.38) ARTRPA1KMT2AHTR2CHSD11B1
SCHEMBL1386887 0.89 TRPA1 (0.38) ARTRPA1KMT2AHTR2CHSD11B1
SCHEMBL1382864 0.83 CNR2 (0.41) TRPA1SCN9AHSD11B1ACHEKMO
SCHEMBL1384185 0.83 CNR2 (0.41) TRPA1SCN9AHSD11B1ACHEKMO
SCHEMBL1383044 0.83 MAOA (0.42) KMT2AHTR2CKMO
SCHEMBL1383375 0.80 KMT2A (0.39) KMT2AHTR2CBCHEACHEGRIN1
SCHEMBL1386403 0.77 HSD11B1 (0.34) HTR2CHSD11B1BCHEACHEGRIN1
SCHEMBL1383819 0.77 TRPA1 (0.37) ARTRPA1PTPRBSCN9AHSD11B1
SCHEMBL2321767 0.75 TRPA1 (0.39) TRPA1HTR2CSCN9AHSD11B1

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 AR 157/4885TRPA1 4582/4885KMT2A 2891/4885

“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.