SCHEMBL13590803

SCHEMBL13590803

C[C@@H](COC(C)(C)C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(-c3ccc(N4CCN(C)CC4)nc3)nc3ccccc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 20/20 0.56
ACACA Q13085 17/20 0.55
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
KCNH2 Q12809 1/20 0.47

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
SCHEMBL13590733 0.91 ACACB (0.54) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4401332 0.89 ACACB (0.72) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4401327 0.89 ACACB (0.72) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4390044 0.87 ACACB (0.51) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4390055 0.87 ACACB (0.51) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4390051 0.87 ACACB (0.51) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4012250 0.85 ACACB (0.55) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4012255 0.85 ACACB (0.55) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL13590748 0.83 ACACB (0.64) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4014311 0.83 ACACB (0.58) ACACBACACACYP1A2CYP3A4CYP2C9

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 3 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
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 ACACB 2/4885ACACA 1/4885CYP1A2 903/4885

“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.