SCHEMBL9901768

SCHEMBL9901768

O=C(O)N1CCC(Oc2cc(F)cc(C(F)(F)F)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.46
LIPG Q9Y5X9 3/20 0.44
LIPC P11150 1/20 0.44
TP53 P04637 1/20 0.44
LIPE Q05469 2/20 0.42
BCL9 O00512 1/20 0.41
CTNNB1 P35222 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
CHRM3 P20309 1/20 0.39
ADRB2 P07550 1/20 0.39
MMP2 P08253 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
TEAD1 P28347 1/20 0.38

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
SCHEMBL23365224 0.87 FFAR4 (0.44) EPHX2BCL9CTNNB1FFAR4CHRM3
SCHEMBL545364 0.87 EPHX2 (0.46) EPHX2LIPGLIPCTP53LIPE
SCHEMBL2637607 0.86 TP53 (0.42) EPHX2LIPGLIPCTP53LIPE
SCHEMBL21722913 0.86 EPHX2 (0.45) EPHX2LIPGLIPCTP53LIPE
SCHEMBL2637608 0.85 LIPE (0.46) EPHX2LIPGLIPCTP53LIPE
SCHEMBL6121469 0.84 EPHX2 (0.44) EPHX2LIPGLIPCTP53LIPE
SCHEMBL6121943 0.84 EPHX2 (0.44) EPHX2LIPGLIPCTP53LIPE
SCHEMBL546462 0.82 EPHX2 (0.42) EPHX2LIPGLIPCTP53LIPE
SCHEMBL546461 0.82 EPHX2 (0.42) EPHX2LIPGLIPCTP53LIPE
SCHEMBL6121520 0.82 NOTUM (0.47) EPHX2TP53LIPEADRB2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 US claimed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 US claimed
EP-2462121-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS Pierre Fabre Médicament (FR) 2012-06-13 EP claimed
EP-2462121-B1 DERIVATIVES OF 2H PYRIDAZIN-3-ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PF MEDICAMENT (FR) 2015-02-18 EP disclosed
US-8946225-B2 Derivatives of 2H pyridazin-3-ones, their preparation and their use as SCD-1 inhibitors PIERRE FABRE MEDICAMENT (FR) 2015-02-03 US disclosed
US-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2012-07-12 US disclosed
EP-2462121-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS Pierre Fabre Médicament (FR) 2012-06-13 EP 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-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS SCD, SCD5, CYP2S1 EPHX2 1211/4885LIPG 499/4885LIPC 52/4885

“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.