SCHEMBL4013383

SCHEMBL4013383

O=C(NCc1ccccc1C(F)(F)F)NCC1CCC(CNC(=O)c2cccc(Cl)c2Cl)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.47
P2RX7 Q99572 12/20 0.46
CNR2 P34972 3/20 0.43
EPHX2 P34913 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PTGES O14684 1/20 0.42
IL1B P01584 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
SCHEMBL4007674 0.88 NPC1 (0.56) CHRM1P2RX7NPC1RAB9A
SCHEMBL4008439 0.85 EPHX2 (0.46) CHRM1P2RX7EPHX2PTGESIL1B
SCHEMBL4014305 0.84 P2RX7 (0.56) CHRM1P2RX7NPC1RAB9A
SCHEMBL4003460 0.79 EPHX2 (0.55) EPHX2
SCHEMBL4393064 0.78 EPHX2 (0.50) EPHX2NPC1RAB9A
SCHEMBL4014409 0.78 EPHX2 (0.49) EPHX2
SCHEMBL4005886 0.77 HPGD (0.48) CHRM1P2RX7RAB9A
SCHEMBL4388583 0.77 POLB (0.51) CHRM1P2RX7EPHX2
SCHEMBL28772973 0.77 P2RX7 (0.57) P2RX7EPHX2PTGES
SCHEMBL4012709 0.76 P2RX7 (0.51) CHRM1P2RX7

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 CHRM1 1124/4885P2RX7 3989/4885CNR2 2519/4885

“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.