SCHEMBL4597618

SCHEMBL4597618

CC(C)(C)OC(=O)N1CCC(N2C(=O)N(CC3CCOCC3)C[C@H]2c2ccccc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.57
GPR119 Q8TDV5 1/20 0.44
USP30 Q70CQ3 1/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL5576348 1.00 CCR5 (0.57) CCR5GPR119USP30KDM4EPKM
SCHEMBL3758664 0.85 CCR5 (0.56) CCR5GPR119USP30
SCHEMBL3758660 0.85 CCR5 (0.56) CCR5GPR119USP30
SCHEMBL4597655 0.85 CCR5 (0.43) CCR5USP30HDAC1HDAC6
SCHEMBL3761951 0.82 CCR5 (0.68) CCR5
SCHEMBL3761953 0.82 CCR5 (0.68) CCR5
SCHEMBL4598038 0.81 CCR5 (0.45) CCR5GPR119USP30KDM4EPKM
SCHEMBL4623933 0.81 CCR5 (0.45) CCR5GPR119USP30KDM4EPKM
SCHEMBL4597329 0.80 CCR5 (0.52) CCR5GPR119KDM4EPKM
SCHEMBL5576650 0.80 CCR5 (0.52) CCR5GPR119KDM4EPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1924265-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS Genzyme Corporation (US) 2008-05-28 EP disclosed
US-20070066624-A1 Chemokine receptor binding compounds ANORMED, INC. (CA) 2007-03-22 US disclosed
WO-2007022371-A2 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2007-02-22 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 (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 CCR5 1/4885GPR119 229/4885USP30 4096/4885

“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.