SCHEMBL3937951

SCHEMBL3937951

CCOC1CCC(CN2C[C@@H](c3ccccc3)N(C3CCN(C4(C)CCN(C(=O)c5c(C)ccnc5C)CC4)CC3)C2=O)CC1

nearest known ligand 0.85

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 20/20 0.85
KCNH2 Q12809 1/20 0.52

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
SCHEMBL4206070 0.92 CCR5 (1.00) CCR5
SCHEMBL3934835 0.89 CCR5 (0.72) CCR5KCNH2
SCHEMBL4208228 0.87 CCR5 (0.85) CCR5
SCHEMBL4204843 0.85 CCR5 (0.76) CCR5
SCHEMBL3943357 0.81 CCR5 (1.00) CCR5KCNH2
SCHEMBL4093534 0.81 CCR5 (1.00) CCR5KCNH2
SCHEMBL13946576 0.81 CCR5 (1.00) CCR5
SCHEMBL4204053 0.81 CCR5 (1.00) CCR5
SCHEMBL3935674 0.81 CCR5 (1.00) CCR5
SCHEMBL3940658 0.80 CCR5 (1.00) 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 1/4885KCNH2 2662/4885

“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.