SCHEMBL5529635

SCHEMBL5529635

COC(=O)C1CCC(C(=O)N(CCCN2CC3=CN(C(=O)c4c(C)ncnc4C)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 19/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL4972758 0.92 CCR5 (0.44) CCR5KCNH2
SCHEMBL4696273 0.92 CCR5 (0.46) CCR5KCNH2
SCHEMBL4694376 0.90 CCR5 (0.45) CCR5KCNH2
SCHEMBL4692779 0.90 CCR5 (0.41) CCR5KCNH2
SCHEMBL4694548 0.90 CCR5 (0.44) CCR5KCNH2
SCHEMBL4695398 0.89 CCR5 (0.48) CCR5KCNH2
SCHEMBL4691679 0.89 CCR5 (0.40) CCR5KCNH2
SCHEMBL3283439 0.89 CCR5 (0.48) CCR5KCNH2
SCHEMBL4969642 0.89 CCR5 (0.46) CCR5KCNH2
SCHEMBL4693874 0.88 CCR5 (0.43) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191406-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2007-08-16 US claimed

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-20070191406-A1 Heterocyclic antiviral compounds CCR5, CX3CR1, CXCR1 CCR5 1/4885KCNH2 1746/4885

“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.