SCHEMBL3320090

SCHEMBL3320090

CCCC[C@H](CN(O)C=O)C(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
ALDH1A1 P00352 3/20 0.44
MMP13 P45452 2/20 0.43
MMP14 P50281 2/20 0.43
CYP3A4 P08684 1/20 0.43
ADAMTS4 O75173 1/20 0.43
POLB P06746 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL3320089 1.00 CNR1 (0.51) CNR1CNR2ALDH1A1MMP13MMP14
SCHEMBL3320349 0.89 CNR1 (0.50) CNR1ALDH1A1ME2ME1ME3
SCHEMBL3320351 0.89 CNR1 (0.50) CNR1ALDH1A1ME2ME1ME3
SCHEMBL3320488 0.89 LMNA (0.48) ALDH1A1LMNAMAPTTSHRKMT2A
SCHEMBL3320490 0.89 LMNA (0.48) ALDH1A1LMNAMAPTTSHRKMT2A
SCHEMBL3320190 0.88 MAPT (0.49) ALDH1A1LMNAMAPTMEN1HTT
SCHEMBL3320188 0.88 MAPT (0.49) ALDH1A1LMNAMAPTMEN1HTT
SCHEMBL3321291 0.88 L3MBTL1 (0.46) ALDH1A1ME2ME1ME3LMNA
SCHEMBL3321294 0.88 L3MBTL1 (0.46) ALDH1A1ME2ME1ME3LMNA
SCHEMBL3320405 0.86 MAPT (0.50) ALDH1A1POLBLMNAMAPTMEN1

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 CNR1 1225/4885CNR2 1580/4885ALDH1A1 2137/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CNR1 1221/4885CNR2 1613/4885ALDH1A1 2288/4885

“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.