SCHEMBL4009554

SCHEMBL4009554

O=C(NCc1ccc(F)cc1)NCC1CCC(CNC(=O)c2ccc(Cl)cc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.56
RAB9A P51151 3/20 0.54
NAMPT P43490 2/20 0.54
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
CXCR3 P49682 3/20 0.51
NPC1 O15118 1/20 0.50
HDAC3 O15379 1/20 0.49
CYP1A2 P05177 1/20 0.48
CYP2C19 P33261 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 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
SCHEMBL4013476 0.94 NAMPT (0.59) POLBRAB9ANAMPTKMT2AMEN1
SCHEMBL4006619 0.88 CXCR3 (0.61) RAB9ANAMPTKMT2AMEN1CXCR3
SCHEMBL4003531 0.86 HDAC6 (0.55) RAB9ANAMPTKMT2ANPC1HDAC3
SCHEMBL4008158 0.85 L3MBTL1 (0.54) RAB9ANAMPTNPC1SMN1; SMN2
SCHEMBL4012661 0.82 CXCR3 (0.62) POLBRAB9ANAMPTCXCR3NPC1
SCHEMBL6355362 0.82 POLB (0.72) POLBRAB9AKMT2AMEN1CYP1A2
SCHEMBL29926296 0.82 HDAC6 (0.59) RAB9ANAMPTKMT2ANPC1HDAC3
SCHEMBL4008819 0.81 NPC1 (0.55) RAB9ANAMPTKMT2AMEN1CXCR3
SCHEMBL4014284 0.81 NAMPT (0.59) POLBRAB9ANAMPTKMT2AMEN1
SCHEMBL4007255 0.80 CA1 (0.50) NAMPTKMT2AMEN1HDAC3SMN1; SMN2

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 POLB 1032/4885RAB9A 3450/4885NAMPT 306/4885

“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.