SCHEMBL3320205

SCHEMBL3320205

CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CCC(Oc2ccc(CO)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 1/20 0.48
CTSL P07711 4/20 0.47
CTSS P25774 4/20 0.47
CTSK P43235 4/20 0.47
SRD5A1 P18405 1/20 0.43
HRH1 P35367 1/20 0.43
RORC P51449 1/20 0.43
P2RX7 Q99572 6/20 0.42
F13A1 P00488 1/20 0.42
TGM2 P21980 1/20 0.42
TGM1 P22735 1/20 0.42
PREP P48147 2/20 0.42
NAMPT P43490 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
SCHEMBL3318502 0.91 SRD5A1 (0.55) CCR1CTSLCTSSCTSKSRD5A1
SCHEMBL3322049 0.89 CYP3A4 (0.49) CCR1CTSLCTSSCTSKSRD5A1
SCHEMBL3323193 0.85 CTSS (0.43) CCR1CTSLCTSSCTSK
SCHEMBL3320633 0.83 CCR1 (0.55) CCR1CTSLCTSSCTSKF13A1
SCHEMBL3321370 0.83 TGM2 (0.45) CCR1CTSLCTSKP2RX7TGM2
SCHEMBL6135874 0.81 MEN1 (0.55) CCR1
SCHEMBL3320206 0.80 L3MBTL1 (0.46) CTSLCTSSCTSKPREP
SCHEMBL1648387 0.79 SMN1; SMN2 (0.61)
SCHEMBL13798752 0.78 MEN1 (0.55) CCR1CTSLCTSSCTSKPREP
SCHEMBL3321981 0.78 CCR1 (0.48) CCR1CTSLCTSSCTSKPREP

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 CCR1 1395/4885CTSL 355/4885CTSS 760/4885
US-20100125075-A1 Antibacterial Agents NQO2, DAO, Q6ZSR9 CCR1 1421/4885CTSL 330/4885CTSS 749/4885

“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.