SCHEMBL2322258

SCHEMBL2322258

Fc1ccc(C(F)(F)F)c(-c2cc3c(nn2)C2CCC3C2)c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 3/20 0.34
TRPA1 O75762 1/20 0.34
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC6A4 P31645 6/20 0.33
AR P10275 4/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR1B P28222 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A3 Q01959 1/20 0.33
RBP4 P02753 1/20 0.32

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
SCHEMBL2325391 0.90 AR (0.40) NOTUMTRPA1CHRNB2CHRNB4CHRNA3
SCHEMBL2325071 0.86 ACHE (0.34) NOTUMTRPA1CHRNB2CHRNA4SLC6A4
SCHEMBL2325632 0.84 TRPA1 (0.43) NOTUMTRPA1CHRNB2CHRNA4RBP4
SCHEMBL1549035 0.82 AR (0.41) NOTUMTRPA1ARRBP4
SCHEMBL2322937 0.81 CYP11B1 (0.37) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A4
SCHEMBL2321845 0.79 CYP11B1 (0.39) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A4
SCHEMBL2322920 0.79 NISCH (0.37) CHRNB2CHRNB4CHRNA3CHRNA4SLC6A4
SCHEMBL2325039 0.79 CDK9 (0.40) HTR2A
SCHEMBL2324690 0.76 TRPA1 (0.35) TRPA1CHRNB2CHRNA4SLC6A4RBP4
SCHEMBL1384167 0.76 TRPA1 (0.47) NOTUMTRPA1RBP4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1904455-B1 PYRIDAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-08-17 EP claimed
US-7678795-B2 Pyridazines as 11b-HSD1 inhibitors HOFFMAN-LA ROCHE INC. (US) 2010-03-16 US 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
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 NOTUM 2418/4885TRPA1 4582/4885CHRNB2 2809/4885

“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.