SCHEMBL1230693

SCHEMBL1230693

Cn1nccc(OCC(=O)N2CCC(Oc3ccccc3OC(F)(F)F)CC2)c1=O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.49
▸ EPHX2 P34913 2/20 0.49
▸ CYP2J2 P51589 2/20 0.49
▸ HPGD P15428 1/20 0.47
▸ SCD O00767 11/20 0.43
▸ FKBP1A P62942 1/20 0.41
▸ RBP4 P02753 1/20 0.40
▸ NTRK1 P04629 3/20 0.40
▸ KCNH2 Q12809 2/20 0.39
▸ NTRK2 Q16620 2/20 0.39
▸ NTRK3 Q16288 1/20 0.39
▸ SCN9A Q15858 1/20 0.39

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
SCHEMBL12897411 0.93 HPGD (0.45) CYP2C9EPHX2CYP2J2HPGDSCD
SCHEMBL9903165 0.82 CYP2C9 (0.49) CYP2C9EPHX2CYP2J2HPGDSCD
SCHEMBL1231045 0.81 SCD (0.44) HPGDSCD
SCHEMBL1231199 0.80 ALDH1A1 (0.46) HPGDSCDFKBP1ANTRK1
SCHEMBL1231079 0.79 HPGD (0.47) HPGDFKBP1A
SCHEMBL1231190 0.73 SCD (0.66) EPHX2SCD
SCHEMBL14412874 0.72 EPHX2 (0.53) CYP2C9EPHX2CYP2J2SCDRBP4
SCHEMBL16418286 0.71 SCD (0.51) SCD
SCHEMBL18528798 0.71 HPGD (0.52) CYP2C9EPHX2CYP2J2HPGDFKBP1A
SCHEMBL19702655 0.71 ALDH1A1 (0.49) CYP2C9EPHX2CYP2J2HPGDNTRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-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-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
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
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
WO-2011015629-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS PIERRE FABRE MEDICAMENT (FR) 2011-02-10 — — 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-20120178678-A1 DERIVATIVES OF 2H PYRIDAZIN- 3 -ONES, THEIR PREPARATION AND THEIR USE AS SCD-1 INHIBITORS SCD, SCD5, CYP2S1 CYP2C9 229/4885EPHX2 1211/4885CYP2J2 19/4885

“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.

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