SCHEMBL647634

SCHEMBL647634

CCCCC(CC)CN(Cc1ccccn1)C(=O)C1=NOC(C(O)(C(F)(F)F)C(F)(F)F)C1

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MLYCD O95822 19/20 0.52
▸ NR1H2 P55055 1/20 0.37
▸ NR1H3 Q13133 1/20 0.37

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
SCHEMBL11155255 0.67 KDM4E (0.45) —
SCHEMBL18157934 0.64 TRPM8 (0.44) NR1H2NR1H3
SCHEMBL8523869 0.61 GRIN2D (0.44) —
SCHEMBL28587466 0.61 ALDH1A1 (0.51) —
SCHEMBL9306882 0.60 ALDH1A1 (0.48) —
SCHEMBL647138 0.60 MLYCD (0.70) MLYCD
SCHEMBL14260508 0.59 TRPM8 (0.54) MLYCDNR1H2NR1H3
SCHEMBL18160747 0.58 SMN1; SMN2 (0.49) MLYCDNR1H2NR1H3
SCHEMBL2189143 0.58 TRPM8 (0.47) NR1H2NR1H3
SCHEMBL9308475 0.58 NPC1 (0.50) —

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-8119819-B2 Malonyl-CoA decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2012-02-21 — — US claimed
EP-1411929-B1 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI PHARMACEUTICAL CO LTD (JP) 2011-05-11 — — EP claimed
US-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2010-01-21 — — US claimed
JP-2004527475-A — — 2004-09-09 — — JP claimed
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-29 — — US claimed
EP-1411929-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2004-04-28 — — EP claimed
WO-2002058698-A2 MALONYL-COA DECARBOXYLASE INHIBITORS USEFUL AS METABOLIC MODULATORS CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2002-08-01 — — WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20100016259-A1 Malonyl-CoA Decarboxylase Inhibitors Useful as Metabolic Modulators MLYCD, ME3, ACACA MLYCD 1/4885NR1H2 1233/4885NR1H3 1405/4885
US-20040082576-A1 Malonyl-coa decarboxylase inhibitors useful as metabolic modulators MLYCD, ME3, ACACA MLYCD 1/4885NR1H2 1233/4885NR1H3 1405/4885

“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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