SCHEMBL4597329

SCHEMBL4597329

CC(C)(C)OC(=O)N1CCC(N2C(=O)N(Cc3ccncc3)C[C@H]2c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 8/20 0.52
TP53 P04637 1/20 0.48
GPR119 Q8TDV5 4/20 0.44
P2RX7 Q99572 1/20 0.44
JAK2 O60674 1/20 0.42
JAK1 P23458 1/20 0.42
STS P08842 1/20 0.41
FKBP1A P62942 1/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 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
SCHEMBL5576650 1.00 CCR5 (0.52) CCR5TP53GPR119P2RX7JAK2
SCHEMBL27747184 0.86 CCR5 (0.52) CCR5FKBP1A
SCHEMBL4623933 0.81 CCR5 (0.45) CCR5TP53GPR119JAK2JAK1
SCHEMBL4598038 0.81 CCR5 (0.45) CCR5TP53GPR119JAK2JAK1
SCHEMBL5575231 0.80 GPR119 (0.53) CCR5GPR119KDM4EPKM
SCHEMBL4624953 0.80 GPR119 (0.53) CCR5GPR119KDM4EPKM
SCHEMBL5576375 0.80 HDAC1 (0.45) CCR5TP53GPR119STSKDM4E
SCHEMBL5576380 0.80 HDAC1 (0.45) CCR5TP53GPR119STSKDM4E
SCHEMBL4597618 0.80 CCR5 (0.57) CCR5GPR119KDM4EPKM
SCHEMBL5576348 0.80 CCR5 (0.57) 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 1/4885TP53 2854/4885GPR119 229/4885

“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.