SCHEMBL5529632

SCHEMBL5529632

COC(=O)C1CCC(C(=O)N(CCCN2CC3CN(C(=O)c4c(C)ncnc4C)CC3C2)c2ccc(C)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.46
CCR5 P51681 18/20 0.45
CCL5 P13501 2/20 0.45

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
SCHEMBL4696270 0.92 CCR5 (0.54) KCNH2CCR5CCL5
SCHEMBL14436622 0.91 KCNH2 (0.48) KCNH2CCR5CCL5
SCHEMBL4972731 0.91 CCR5 (0.49) KCNH2CCR5CCL5
SCHEMBL4694372 0.90 KCNH2 (0.48) KCNH2CCR5CCL5
SCHEMBL4692775 0.90 CCR5 (0.49) KCNH2CCR5CCL5
SCHEMBL14436619 0.90 CCR5 (0.48) KCNH2CCR5
SCHEMBL4691386 0.90 KCNH2 (0.46) KCNH2CCR5CCL5
SCHEMBL4694547 0.89 CCR5 (0.51) KCNH2CCR5CCL5
SCHEMBL4695394 0.89 CCR5 (0.52) KCNH2CCR5
SCHEMBL4691675 0.89 CCR5 (0.43) KCNH2CCR5CCL5

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 KCNH2 1746/4885CCR5 1/4885CCL5 14/4885

“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.