SCHEMBL4013527

SCHEMBL4013527

CC1(N2CCC(N3C(=O)N(CC4CCN(S(C)(=O)=O)CC4)C[C@H]3c3ccccc3)CC2)CCNCC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.69

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
SCHEMBL4012998 0.87 CCR5 (0.69) CCR5
SCHEMBL13969447 0.87 CCR5 (0.68) CCR5
SCHEMBL4018881 0.85 CCR5 (0.55) CCR5
SCHEMBL4551935 0.78 CCR5 (0.56) CCR5
SCHEMBL4205772 0.78 CCR5 (0.83) CCR5
SCHEMBL4551923 0.77 CCR5 (0.65) CCR5
SCHEMBL13946593 0.77 CCR5 (0.71) CCR5
SCHEMBL4552558 0.77 CCR5 (0.47) CCR5
SCHEMBL4209312 0.73 CCR5 (0.56) CCR5
SCHEMBL3934835 0.72 CCR5 (0.72) CCR5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090028818-A1 Heterocyclic antiviral compounds ROCHE PALO ALTO LLC 2009-01-29 US disclosed
WO-2009013171-A2 HETEROCYCLIC ANTIVIRAL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2009-01-29 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-20090028818-A1 Heterocyclic antiviral compounds CCR5, CCR1, CCR2 CCR5 1/4885

“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.