SCHEMBL3319404

SCHEMBL3319404

CCCCC(CN(O)C=O)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 1/20 0.46
CCR1 P32246 2/20 0.45
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
KCNH2 Q12809 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
BMP1 P13497 1/20 0.41
OPRM1 P35372 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
SCHEMBL3319409 1.00 CCR5 (0.46) CCR5CCR1LMNATSHRKCNH2
SCHEMBL13333273 0.87 CCR1 (0.50) CCR1BMP1
SCHEMBL6135659 0.85 MEN1 (0.51) KCNH2HRH3
SCHEMBL6135658 0.85 MEN1 (0.51) KCNH2HRH3
SCHEMBL3317972 0.84 LMNA (0.46) CCR5LMNAKCNH2OPRM1
SCHEMBL3317979 0.84 LMNA (0.46) CCR5LMNAKCNH2OPRM1
SCHEMBL3320490 0.83 LMNA (0.48) LMNATSHRBMP1
SCHEMBL3320488 0.83 LMNA (0.48) LMNATSHRBMP1
SCHEMBL3324830 0.81 KMT2A (0.52) LMNATSHROPRM1
SCHEMBL3324827 0.81 KMT2A (0.52) 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 7 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-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 CCR5 2262/4885CCR1 1395/4885LMNA 2462/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CCR5 2244/4885CCR1 1421/4885LMNA 2435/4885

“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.