SCHEMBL4394849

SCHEMBL4394849

CN1CCN(c2ccc(-c3cc(C(=O)N[C@H]4CC[C@H](CNC(=O)O)CC4)c4ccccc4n3)cn2)CC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.54
KMT2A Q03164 2/20 0.54
MEN1 O00255 1/20 0.54
KLK7 P49862 1/20 0.52
ACACB O00763 5/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
HPGD P15428 3/20 0.47
HSD17B10 Q99714 2/20 0.47
ACACA Q13085 4/20 0.47
NPC1 O15118 2/20 0.46
USP30 Q70CQ3 2/20 0.46
TP53 P04637 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
SCHEMBL4394852 1.00 RAB9A (0.54) RAB9AKMT2AMEN1KLK7ACACB
SCHEMBL4012255 0.94 ACACB (0.55) RAB9AACACBSMN1; SMN2KDM4EALDH1A1
SCHEMBL4012250 0.94 ACACB (0.55) RAB9AACACBSMN1; SMN2KDM4EALDH1A1
SCHEMBL13590748 0.90 ACACB (0.64) RAB9AKMT2AMEN1ACACBACACA
SCHEMBL4014320 0.87 ACACB (0.58) RAB9AACACBSMN1; SMN2KDM4EALDH1A1
SCHEMBL4014311 0.87 ACACB (0.58) RAB9AACACBSMN1; SMN2KDM4EALDH1A1
SCHEMBL4394883 0.86 ACACB (0.55) ACACBSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4394891 0.86 ACACB (0.55) ACACBSMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL4390600 0.85 ACACB (0.53) RAB9AKMT2AMEN1ACACBSMN1; SMN2
SCHEMBL4390608 0.85 ACACB (0.53) RAB9AKMT2AMEN1ACACBSMN1; 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 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 RAB9A 3450/4885KMT2A 1754/4885MEN1 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.