SCHEMBL4487349

SCHEMBL4487349

CCCC[C@H]1CN(CC2CCN(C3COC3)CC2)C(=O)OC12CCN(C1(C)CCN(C(=O)c3c(C)ncnc3C)CC1)CC2

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.83
KCNH2 Q12809 1/20 0.83

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
SCHEMBL4482501 0.95 CCR5 (0.84) CCR5KCNH2
SCHEMBL3664308 0.91 CCR5 (0.88) CCR5KCNH2
SCHEMBL4461717 0.91 CCR5 (1.00) CCR5KCNH2
SCHEMBL18841093 0.91 CCR5 (1.00) CCR5KCNH2
SCHEMBL4485065 0.91 CCR5 (0.88) CCR5KCNH2
SCHEMBL3626623 0.90 CCR5 (0.85) CCR5KCNH2
SCHEMBL13604581 0.90 CCR5 (0.87) CCR5KCNH2
SCHEMBL4498265 0.90 CCR5 (0.87) CCR5KCNH2
SCHEMBL4471153 0.90 CCR5 (0.87) CCR5KCNH2
SCHEMBL3630706 0.90 CCR5 (0.87) CCR5KCNH2

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-7625891-B2 Heterocylic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-12-01 US claimed
US-20080249087-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-10-09 US claimed
US-7625891-B2 Heterocylic antiviral compounds ROCHE PALO ALTO LLC (US) 2009-12-01 US disclosed
US-20080249087-A1 Heterocylic antiviral compounds ROCHE PALO ALTO LLC 2008-10-09 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-20080249087-A1 Heterocylic antiviral compounds CCR5, CCR1, CXCR1 CCR5 1/4885KCNH2 2734/4885

“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.