SCHEMBL1230331

SCHEMBL1230331

Cn1nccc(NCC(=O)N2CCN(C(=O)c3ccccc3C(F)(F)F)CC2)c1=O

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCD O00767 9/20 0.46
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ HTR2B P41595 1/20 0.43
▸ MAPK14 Q16539 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ SMO Q99835 1/20 0.42
▸ GBA1 P04062 1/20 0.41

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
SCHEMBL1230576 0.88 SMO (0.44) SCDSMO
SCHEMBL1230300 0.81 SCD (0.51) SCDSMO
SCHEMBL1231190 0.81 SCD (0.66) SCD
SCHEMBL1230758 0.78 SCD (0.54) SCD
SCHEMBL16418285 0.75 SCD (0.57) SCD
SCHEMBL1230391 0.74 PDE5A (0.37) SCD
SCHEMBL12881276 0.73 BLM (0.57) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL13058770 0.73 CYP2C9 (0.52) SCDCYP2C9CYP2C19HTR2BMAPK14
SCHEMBL1229532 0.73 SCD (0.55) SCDSMO
SCHEMBL13082662 0.73 CYP2C9 (0.49) SCDCYP2C9CYP2C19HTR2BMAPK14

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 16 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 claimed
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
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 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
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
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
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
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 SCD 1/4885CYP2C9 229/4885CYP2C19 84/4885

“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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