SCHEMBL1385103

SCHEMBL1385103

Fc1cccc(-c2cc3c(nn2)CCCCCC3)c1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.39
ACP1 P24666 1/20 0.33
P2RX7 Q99572 1/20 0.32
CNR2 P34972 1/20 0.32
HTR2C P28335 1/20 0.32
HTR2B P41595 1/20 0.32
ESR1 P03372 2/20 0.31
HSD11B1 P28845 1/20 0.31
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
BDKRB1 P46663 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
SCHEMBL2321767 1.00 TRPA1 (0.39) TRPA1ACP1P2RX7CNR2HTR2C
SCHEMBL1385607 0.83 NPC1 (0.38) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL1383964 0.83 NPC1 (0.38) ALDH1A1LMNAMAPTMAPK1SMN1; SMN2
SCHEMBL1384185 0.80 CNR2 (0.41) TRPA1ACP1CNR2HSD11B1SCN9A
SCHEMBL1382864 0.80 CNR2 (0.41) TRPA1ACP1CNR2HSD11B1SCN9A
SCHEMBL1383468 0.75 AR (0.41) TRPA1HTR2CHSD11B1SCN9A
SCHEMBL1386887 0.75 TRPA1 (0.38) TRPA1HTR2CHSD11B1
SCHEMBL1386631 0.75 AR (0.41) TRPA1HTR2CHSD11B1SCN9A
SCHEMBL1383974 0.75 TRPA1 (0.38) TRPA1HTR2CHSD11B1
SCHEMBL1383375 0.73 KMT2A (0.39) HTR2CLMNA

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 4582/4885ACP1 3428/4885P2RX7 2535/4885

“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.