SCHEMBL3320722

SCHEMBL3320722

CC(C)(CC(=O)N1CCN(C(=O)c2cnccn2)CC1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.49
DPP9 Q86TI2 1/20 0.49
CYP2D6 P10635 2/20 0.47
CYP3A4 P08684 6/20 0.46
USP2 O75604 3/20 0.46
HIF1A Q16665 2/20 0.46
HSD17B10 Q99714 3/20 0.44
GBA1 P04062 1/20 0.44
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.44
GAA P10253 1/20 0.43
CYP2C9 P11712 3/20 0.43
CASP1 P29466 1/20 0.43
CYP2C19 P33261 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
TSHR P16473 1/20 0.42
MC4R P32245 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
SCHEMBL3319737 0.84 HTT (0.43) ALDH1A1HPGDMEN1KMT2ATSHR
SCHEMBL3319297 0.82 L3MBTL1 (0.62) DPP4DPP9ALDH1A1GAA
SCHEMBL3758805 0.80 DPP4 (0.56) DPP4DPP9CYP2D6CYP3A4USP2
SCHEMBL3320223 0.79 ALDH1A1 (0.58) CYP3A4ALDH1A1GAACYP2C9CYP2C19
SCHEMBL3320718 0.78 CYP2D6 (0.47) DPP4DPP9CYP2D6CYP3A4USP2
SCHEMBL3320869 0.77 SCN9A (0.34) DPP4DPP9
SCHEMBL3320848 0.76 HPGD (0.44) ALDH1A1HPGDMEN1KMT2A
SCHEMBL3758802 0.76 CYP3A4 (0.52) DPP4DPP9CYP2D6CYP3A4USP2
SCHEMBL13772554 0.75 CYP3A4 (0.63) CYP2D6CYP3A4USP2HIF1AHSD17B10
SCHEMBL3320069 0.75 KMT2A (0.50) ALDH1A1HPGDKMT2ATSHR

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-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
WO-2001010834-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 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 DPP4 3194/4885DPP9 3764/4885CYP2D6 105/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 DPP4 3121/4885DPP9 3790/4885CYP2D6 136/4885

“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.