SCHEMBL3323023

SCHEMBL3323023

CC(C)(CC(=O)N1CCC(c2cc(-c3ccccc3)n[nH]2)CC1)C(N)=O

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.53
DRD2 P14416 8/20 0.53
DRD3 P35462 5/20 0.53
HTT P42858 1/20 0.52
USP30 Q70CQ3 4/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
AKT3 Q9Y243 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
SCHEMBL6334940 0.86 IL2 (0.51) DRD4DRD2DRD3HTTMEN1
SCHEMBL3319805 0.84 ALDH1A1 (0.54) HTTUSP30MEN1KMT2A
SCHEMBL5468773 0.82 DRD4 (0.61) DRD4DRD2DRD3HTTUSP30
SCHEMBL3323017 0.82 HTT (0.52) DRD4DRD2DRD3HTTUSP30
SCHEMBL6255441 0.80 DRD4 (0.56) DRD4DRD2DRD3HTTUSP30
SCHEMBL1653301 0.79 HTT (0.79) DRD4DRD2DRD3HTTUSP30
SCHEMBL3320368 0.78 CYP3A4 (0.51)
SCHEMBL27812289 0.75 HTT (0.56) DRD4DRD2DRD3HTTUSP30
SCHEMBL2374222 0.71 DRD4 (0.67) DRD4DRD2DRD3USP30MEN1
SCHEMBL4956144 0.71 ALDH1A1 (0.58) MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100125075-A1 Antibacterial Agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2010-05-20 US disclosed
US-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 US disclosed
US-20050065095-A1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LTD. (GB) 2005-03-24 US disclosed
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US disclosed
EP-1202968-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2002-05-08 EP disclosed
WO-2001010834-A2 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2001-02-15 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 (2 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-20050065095-A1 Antibacterial agents NQO2, DAO, Q6ZSR9 DRD4 537/4885DRD2 568/4885DRD3 543/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 DRD4 494/4885DRD2 547/4885DRD3 518/4885

“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.