SCHEMBL1383974

SCHEMBL1383974

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

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.38
KMT2A Q03164 1/20 0.36
HTR2C P28335 1/20 0.34
AR P10275 4/20 0.33
NTRK1 P04629 1/20 0.33
HSD11B1 P28845 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
KMO O15229 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 1.00 TRPA1 (0.38) TRPA1KMT2AHTR2CARNTRK1
SCHEMBL1383468 0.89 AR (0.41) TRPA1KMT2AHTR2CARHSD11B1
SCHEMBL1386631 0.89 AR (0.41) TRPA1KMT2AHTR2CARHSD11B1
SCHEMBL1386403 0.85 HSD11B1 (0.34) HTR2CHSD11B1ACHEBCHEGRIN1
SCHEMBL1384185 0.83 CNR2 (0.41) TRPA1HSD11B1ACHEKMO
SCHEMBL1382864 0.83 CNR2 (0.41) TRPA1HSD11B1ACHEKMO
SCHEMBL1383375 0.83 KMT2A (0.39) KMT2AHTR2CACHEBCHEGRIN1
SCHEMBL1383044 0.80 MAOA (0.42) KMT2AHTR2CKMO
SCHEMBL2321767 0.75 TRPA1 (0.39) TRPA1HTR2CHSD11B1
SCHEMBL1385103 0.75 TRPA1 (0.39) TRPA1HTR2CHSD11B1

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
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 TRPA1 4582/4885KMT2A 2891/4885HTR2C 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.