SCHEMBL4007192

SCHEMBL4007192

CN1CCN(c2ccc(-c3cc(C(=O)O)c4ccccc4n3)cn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 6/20 0.58
LMNA P02545 5/20 0.58
MAPK1 P28482 4/20 0.58
TP53 P04637 4/20 0.58
HSD17B10 Q99714 4/20 0.58
TSHR P16473 3/20 0.58
PKM P14618 2/20 0.58
KDM4E B2RXH2 7/20 0.58
RCE1 Q9Y256 1/20 0.58
DHODH Q02127 5/20 0.57
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 4/20 0.57
HPGD P15428 3/20 0.57
PDE10A Q9Y233 1/20 0.55
POLB P06746 1/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
USP2 O75604 2/20 0.54
TNKS O95271 1/20 0.53

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
SCHEMBL15521623 0.85 DHODH (0.78) NPC1RAB9ALMNATP53HSD17B10
SCHEMBL28455263 0.82 KDM4E (0.75) TP53PKMKDM4EALDH1A1HPGD
SCHEMBL4012255 0.81 ACACB (0.55) NPC1RAB9ATP53HSD17B10KDM4E
SCHEMBL4012250 0.81 ACACB (0.55) NPC1RAB9ATP53HSD17B10KDM4E
SCHEMBL4014311 0.80 ACACB (0.58) NPC1RAB9ATP53HSD17B10KDM4E
SCHEMBL4014320 0.80 ACACB (0.58) NPC1RAB9ATP53HSD17B10KDM4E
SCHEMBL4394852 0.79 RAB9A (0.54) NPC1RAB9ATP53HSD17B10KDM4E
SCHEMBL4394849 0.79 RAB9A (0.54) NPC1RAB9ATP53HSD17B10KDM4E
SCHEMBL4401332 0.77 ACACB (0.72)
SCHEMBL22189837 0.76 ATM (0.50) LMNAMAPK1ALDH1A1MEN1KMT2A

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 5 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 disclosed
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
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
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 NPC1 974/4885RAB9A 3450/4885LMNA 1593/4885

“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.