SCHEMBL4391855

SCHEMBL4391855

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

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACACB O00763 17/20 0.47
ACACA Q13085 16/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
NPC1 O15118 1/20 0.45
HPGD P15428 1/20 0.45
RAB9A P51151 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
EZH2 Q15910 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4391871 1.00 ACACB (0.47) ACACBACACASMN1; SMN2NPC1HPGD
SCHEMBL4391864 1.00 ACACB (0.47) ACACBACACASMN1; SMN2NPC1HPGD
SCHEMBL4390164 0.92 ACACB (0.47) ACACBACACASMN1; SMN2NPC1HPGD
SCHEMBL4390170 0.92 ACACB (0.47) ACACBACACASMN1; SMN2NPC1HPGD
SCHEMBL4390157 0.92 ACACB (0.47) ACACBACACASMN1; SMN2NPC1HPGD
SCHEMBL4391617 0.92 ACACB (0.47) ACACBACACASMN1; SMN2NPC1HPGD
SCHEMBL4391612 0.92 ACACB (0.47) ACACBACACASMN1; SMN2NPC1HPGD
SCHEMBL4390051 0.91 ACACB (0.51) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4390044 0.91 ACACB (0.51) ACACBACACACYP1A2CYP3A4CYP2C9
SCHEMBL4390055 0.91 ACACB (0.51) 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 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 claimed
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

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 1/4885SMN1; SMN2 4702/4885

“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.