SCHEMBL3759966

SCHEMBL3759966

CC(CCNC(=O)OC(C)(C)C)N1CCC(N[C@@H](CNC2CCOCC2)c2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.40
GPR88 Q9GZN0 1/20 0.37
UTS2R Q9UKP6 1/20 0.37
DRD2 P14416 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
KCNH2 Q12809 1/20 0.35

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
SCHEMBL3764142 0.86 CCR5 (0.39) CCR5GPR88UTS2RDRD2SIGMAR1
SCHEMBL3757466 0.86 CCR5 (0.41) CCR5GPR88UTS2RDRD2SIGMAR1
SCHEMBL3754554 0.82 GPR119 (0.48) GPR119
SCHEMBL5575420 0.82 GPR119 (0.48) GPR119
SCHEMBL3756604 0.82 CCR5 (0.40) CCR5GPR88
SCHEMBL3816009 0.81 CYP3A4 (0.44) CCR5
SCHEMBL3764215 0.80 CYP3A4 (0.45) CCR5GPR88
SCHEMBL3757286 0.79 IDO1 (0.44) CCR5DRD2SIGMAR1GPR119
SCHEMBL3757285 0.79 IDO1 (0.44) CCR5DRD2SIGMAR1GPR119
SCHEMBL3763458 0.78 CTSK (0.44)

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
US-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORPORATION (US) 2010-11-25 US disclosed
US-7790747-B2 Chemokine receptor binding compounds GENZYME CORPORATION (US) 2010-09-07 US disclosed
US-20090099205-A1 Chemokine receptor binding compounds GENZYME CORPORATION 2009-04-16 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-20100298366-A1 CHEMOKINE RECEPTOR BINDING COMPOUNDS CCR5, CXCR3, CCL5 CCR5 1/4885GPR88 56/4885UTS2R 746/4885
US-20090099205-A1 Chemokine receptor binding compounds CCR5, CXCR3, CCL5 CCR5 1/4885GPR88 56/4885UTS2R 746/4885

“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.