SCHEMBL4002389

SCHEMBL4002389

COC(C)CNC(=O)NCC1CCC(CNC(=O)c2ccccc2F)CC1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CHRM1 P11229 4/20 0.41
OPRM1 P35372 1/20 0.41
CNR2 P34972 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
CHRM3 P20309 1/20 0.41
DPP4 P27487 1/20 0.41
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL4005984 0.89 LMNA (0.50) KDM4EALDH1A1CHRM1OPRM1CNR2
SCHEMBL4002313 0.86 KDM4E (0.56) KDM4EALDH1A1CHRM1OPRM1CNR2
SCHEMBL4005799 0.83 KMT2A (0.49) KDM4EALDH1A1CHRM1OPRM1CHRM2
SCHEMBL29857237 0.82 ALDH1A1 (0.56) KDM4EALDH1A1CHRM1OPRM1CNR2
SCHEMBL4010518 0.81 KMT2A (0.47) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL4005983 0.76 ALDH1A1 (0.53) KDM4EALDH1A1CHRM1OPRM1POLB
SCHEMBL4008439 0.72 EPHX2 (0.46) KDM4EALDH1A1CHRM1DPP4KMT2A
SCHEMBL19974684 0.72 POLB (0.46) KDM4EALDH1A1CHRM1OPRM1CHRM2
SCHEMBL19974961 0.71 POLB (0.45) KDM4EALDH1A1POLBMEN1KMT2A
SCHEMBL29242160 0.71 OPRM1 (0.55) KDM4EALDH1A1CHRM1OPRM1CHRM2

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 KDM4E 1761/4885ALDH1A1 169/4885CHRM1 1124/4885

“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.