SCHEMBL4005083

SCHEMBL4005083

CCCNC(=O)NCC1CCC(CNC(=O)c2cccc(C)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 4/20 0.57
HPGD P15428 1/20 0.54
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
CCR2 P41597 1/20 0.48
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
LMNA P02545 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
TAS1R3 Q7RTX0 1/20 0.46
TAS1R1 Q7RTX1 1/20 0.46
HSPB1 P04792 1/20 0.46
CYP2C9 P11712 1/20 0.46
MAPK11 Q15759 1/20 0.46

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
SCHEMBL8297087 0.88 HPGD (0.65) MAPK14HPGDMEN1KMT2ANPC1
SCHEMBL4007606 0.88 HPGD (0.52) MAPK14HPGDMEN1KMT2ANPC1
SCHEMBL4008406 0.86 NPC1 (0.70) HPGDNPC1RAB9AL3MBTL1CCR2
SCHEMBL4390094 0.84 MAPK14 (0.50) MAPK14MEN1KMT2AL3MBTL1HDAC6
SCHEMBL8373050 0.82 CCR2 (0.58) MAPK14HPGDMEN1KMT2ACCR2
SCHEMBL27383406 0.82 MEN1 (0.71) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL1753828 0.81 L3MBTL1 (0.71) MEN1KMT2ANPC1RAB9AL3MBTL1
SCHEMBL4007255 0.81 CA1 (0.50) HPGDMEN1KMT2ACCR2LMNA
SCHEMBL4008429 0.80 LMNA (0.52) HPGDMEN1KMT2ANPC1RAB9A
SCHEMBL4013615 0.79 ALDH1A1 (0.60) MAPK14HPGDKMT2ALMNAHDAC6

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 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 MAPK14 2788/4885HPGD 1028/4885MEN1 4443/4885

“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.