SCHEMBL3320063

SCHEMBL3320063

CC(C)(C)[C@H](NC(=O)[C@@H](CC1CCCC1)CN(O)C=O)C(=O)N1CCN(Cc2cccc(C#N)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.43
RORC P51449 1/20 0.42
CCR3 P51677 1/20 0.40
MMP1 P03956 4/20 0.39
MMP13 P45452 2/20 0.39
CHRM4 P08173 2/20 0.39
GPR6 P46095 1/20 0.38
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MLNR O43193 1/20 0.38
DPP7 Q9UHL4 1/20 0.37

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
SCHEMBL3320642 0.92 MMP1 (0.39) FAAHMMP1MMP13CHRM4MLNR
SCHEMBL3318541 0.86 MMP1 (0.38) MMP1MMP13
SCHEMBL3318536 0.86 MMP1 (0.38) MMP1MMP13
SCHEMBL3324893 0.85 MMP1 (0.42) FAAHMMP1MMP13MCHR1
SCHEMBL13333362 0.85 MMP1 (0.40) MMP1MMP13
SCHEMBL3324846 0.85 MMP1 (0.44) FAAHMMP1MMP13MCHR1
SCHEMBL3324840 0.85 MMP1 (0.44) FAAHMMP1MMP13MCHR1
SCHEMBL2794993 0.84 MLNR (0.39) MMP1MMP13MLNR
SCHEMBL2794988 0.84 MLNR (0.39) MMP1MMP13MLNR
SCHEMBL3315627 0.83 ALDH1A1 (0.53) MCHR1

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
US-6846825-B1 Antibacterial agents BRITISH BIOTECH PHARMACEUTICALS LIMITED (GB) 2005-01-25 US 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 FAAH 1160/4885RORC 3087/4885CCR3 1354/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 FAAH 1166/4885RORC 3330/4885CCR3 1387/4885

“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.