SCHEMBL4014367

SCHEMBL4014367

CC(=O)NCCC1CCN(OC(=O)C(F)(F)F)CC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 2/20 0.40
SIRT1 Q96EB6 2/20 0.40
SIRT3 Q9NTG7 2/20 0.40
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
CHRM4 P08173 3/20 0.34
SIGMAR1 Q99720 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
MTNR1A P48039 2/20 0.33
ACHE P22303 1/20 0.33
NQO2 P16083 1/20 0.33
MTNR1B P49286 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL4007514 0.87 CACNA1H (0.38) SIRT2SIRT1SIRT3MTNR1AMTNR1B
SCHEMBL15432290 0.76 ITGB3 (0.43) SIRT2SIRT1SIRT3SIGMAR1MTNR1A
SCHEMBL19658598 0.76 CHRM4 (0.42) SIRT2SIRT1SIRT3CHRM4ACHE
SCHEMBL6485499 0.76 CHRM2 (0.37) ALDH1A1CHRM4GPR119ACHECHRM2
SCHEMBL3522643 0.76 CKS1B (0.43) SIRT2SIRT1SIRT3ALDH1A1MTNR1A
SCHEMBL5560105 0.75 ENPP2 (0.32)
SCHEMBL5392965 0.75
Hydrochloric Acid SCHEMBL2149437 0.75 GNAO1 (0.43) CHRM1
SCHEMBL6485343 0.74 DPP8 (0.32)
SCHEMBL4012248 0.73 KDM4E (0.53) GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ASTRAZENECA AB (SE) 2009-12-10 US disclosed
WO-2009082346-A1 NEW ACETYL COENZYME A CARBOXYLASE (ACC) INHIBITORS AND USES IN TREATMENTS OF OBESITY AND DIABETES MELLITUS - 087 ASTRAZENECA AB (SE) 2009-07-02 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-20090306133-A1 New Acetyl Coenzyme A Carboxylase (ACC) Inhibitors And Uses In Treatments Of Obesity And Diabetes Mellitus - 087 ACACA, ACACB, ACAT1 SIRT2 273/4885SIRT1 134/4885SIRT3 102/4885

“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.