SCHEMBL3324830

SCHEMBL3324830

CCCC[C@H](CN(O)C=O)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.52
MEN1 O00255 2/20 0.52
CNR1 P21554 1/20 0.52
CNR2 P34972 1/20 0.52
LMNA P02545 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 1/20 0.47
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
CACNA1G O43497 1/20 0.45
CACNA2D1 P54289 2/20 0.44
CACNA1B Q00975 2/20 0.44
CACNB1 Q02641 2/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
CACNA1H O95180 1/20 0.44
CACNA1C Q13936 1/20 0.44

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
SCHEMBL3324827 1.00 KMT2A (0.52) KMT2AMEN1CNR1CNR2LMNA
SCHEMBL3319576 0.94 CACNA1G (0.55) KMT2AMEN1CNR1CNR2CACNA1G
SCHEMBL3319574 0.94 CACNA1G (0.55) KMT2AMEN1CNR1CNR2CACNA1G
SCHEMBL3317931 0.90 CACNA2D1 (0.43) KMT2AMEN1CNR1CNR2CACNA2D1
SCHEMBL3317929 0.90 CACNA2D1 (0.43) KMT2AMEN1CNR1CNR2CACNA2D1
SCHEMBL13333286 0.87 KMT2A (0.46) KMT2AMEN1CNR1CNR2ALDH1A1
SCHEMBL3320490 0.85 LMNA (0.48) KMT2ALMNATSHRALDH1A1
SCHEMBL3320488 0.85 LMNA (0.48) KMT2ALMNATSHRALDH1A1
SCHEMBL3319409 0.81 CCR5 (0.46) LMNATSHROPRM1
SCHEMBL3319404 0.81 CCR5 (0.46) LMNATSHROPRM1

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 10 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-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-7186719-B2 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS (GB) 2007-03-06 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-A9 ANTIBACTERIAL AGENTS BRITISH BIOTECH PHARM (GB) 2001-08-09 WO 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 KMT2A 3765/4885MEN1 2824/4885CNR1 1225/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 KMT2A 3725/4885MEN1 2736/4885CNR1 1221/4885

“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.