SCHEMBL4394803

SCHEMBL4394803

O=C(O)NC[C@H]1CC[C@H](CNC(=O)c2cccc3ccccc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.57
CNR2 P34972 6/20 0.57
BCHE P06276 1/20 0.57
GBA1 P04062 1/20 0.53
ALDH1A1 P00352 2/20 0.52
KDM4E B2RXH2 1/20 0.52
NPC1 O15118 2/20 0.52
HDAC8 Q9BY41 2/20 0.50
MMP3 P08254 1/20 0.50
PREP P48147 1/20 0.50
FAP Q12884 1/20 0.50
DPP8 Q6V1X1 1/20 0.50
DPP9 Q86TI2 1/20 0.50
HPGD P15428 1/20 0.49
PLK1 P53350 1/20 0.49
CHRM1 P11229 1/20 0.48
DRD4 P21917 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48

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
SCHEMBL4394806 1.00 CNR1 (0.57) CNR1CNR2BCHEGBA1ALDH1A1
SCHEMBL7066997 0.90 DRD4 (0.59) CNR1CNR2DRD4
SCHEMBL13543095 0.85 CHRM1 (0.62) CNR1CNR2BCHEGBA1ALDH1A1
SCHEMBL12476380 0.85 CNR1 (0.71) CNR1CNR2BCHEGBA1ALDH1A1
SCHEMBL13590717 0.81 ACACB (0.67) BCHE
SCHEMBL5232673 0.79 CNR1 (0.90) CNR1CNR2BCHEALDH1A1KDM4E
SCHEMBL5257411 0.79 CNR1 (0.64) CNR1CNR2BCHEALDH1A1NPC1
SCHEMBL4194303 0.79 CNR1 (0.90) CNR1CNR2ALDH1A1NPC1CHRM1
SCHEMBL31371405 0.78 CNR1 (0.52) CNR1CNR2BCHEGBA1ALDH1A1
SCHEMBL960555 0.77 ALDH1A1 (0.63) CNR1CNR2BCHEGBA1ALDH1A1

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 2 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

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 CNR1 2175/4885CNR2 2519/4885BCHE 528/4885

“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.