SCHEMBL5576375

SCHEMBL5576375

COC(=O)c1ccc(CN2C[C@@H](c3ccccc3)N(C3CCN(C(=O)OC(C)(C)C)CC3)C2=O)s1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
CCR5 P51681 8/20 0.43
GPR119 Q8TDV5 2/20 0.41
KDM4E B2RXH2 1/20 0.40
PKM P14618 1/20 0.40
ACKR3 P25106 1/20 0.39
TP53 P04637 1/20 0.39
STS P08842 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN5A Q14524 1/20 0.39
SCN9A Q15858 1/20 0.39
USP30 Q70CQ3 1/20 0.39

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
SCHEMBL5576380 1.00 HDAC1 (0.45) HDAC1HDAC8HDAC6CCR5GPR119
SCHEMBL27726421 0.85 CCR5 (0.40) CCR5
SCHEMBL5576650 0.80 CCR5 (0.52) CCR5GPR119KDM4EPKMTP53
SCHEMBL4597329 0.80 CCR5 (0.52) CCR5GPR119KDM4EPKMTP53
SCHEMBL4598038 0.79 CCR5 (0.45) CCR5GPR119KDM4EPKMTP53
SCHEMBL4623933 0.79 CCR5 (0.45) CCR5GPR119KDM4EPKMTP53
SCHEMBL4597618 0.78 CCR5 (0.57) HDAC1HDAC8HDAC6CCR5GPR119
SCHEMBL5576348 0.78 CCR5 (0.57) HDAC1HDAC8HDAC6CCR5GPR119
SCHEMBL5576545 0.78 GPR119 (0.47) CCR5GPR119KDM4EPKMSTS
SCHEMBL4597797 0.78 GPR119 (0.47) CCR5GPR119KDM4EPKMSTS

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 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 (1 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-20070066624-A1 Chemokine receptor binding compounds CCR5, CCR4, CCR1 HDAC1 958/4885HDAC8 1305/4885HDAC6 768/4885

“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.