SCHEMBL4007129

SCHEMBL4007129

O=C(NCC1CC1)NCC1CCC(CNC(=O)c2ccc(Cl)nc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
CYP2C9 P11712 2/20 0.48
MAPK14 Q16539 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
GABRA5 P31644 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
NAMPT P43490 1/20 0.45
MAPK11 Q15759 1/20 0.45

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
SCHEMBL3409240 0.96 L3MBTL1 (0.57) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL4006524 0.92 MAPK14 (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL4007875 0.91 MAPK14 (0.50) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL3404706 0.90 HDAC6 (0.55) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL4648730 0.90 HDAC6 (0.58) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL4007181 0.89 MEN1 (0.49) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL3412142 0.89 HDAC6 (0.60) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B
SCHEMBL4005974 0.88 NPC1 (0.71) L3MBTL1NPC1RAB9ASMN1; SMN2HDAC6
SCHEMBL4008158 0.88 L3MBTL1 (0.54) L3MBTL1NPC1RAB9ASMN1; SMN2GABRA5
SCHEMBL4009571 0.88 NPC1 (0.51) L3MBTL1NPC1RAB9ASMN1; SMN2CACNA1B

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 4 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
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 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
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 L3MBTL1 2621/4885NPC1 974/4885RAB9A 3450/4885

“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.