SCHEMBL14032029

SCHEMBL14032029

COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)nc(C)nc3C)CC2)C[C@@H]1C

nearest known ligand 0.85

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 0.85
▸ CHRM2 P08172 16/20 0.77
▸ CHRM1 P11229 5/20 0.71
▸ CHRM3 P20309 2/20 0.71

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
Vicriviroc SCHEMBL118885 0.92 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
Vicriviroc SCHEMBL4447817 0.92 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
Vicriviroc SCHEMBL15375740 0.92 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
Vicriviroc SCHEMBL4638191 0.92 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL12207145 0.91 CCR5 (0.71) CCR5CHRM2CHRM1CHRM3
SCHEMBL13481495 0.89 CCR5 (0.80) CCR5CHRM2CHRM1CHRM3
SCHEMBL13481919 0.89 CCR5 (0.80) CCR5CHRM2CHRM1CHRM3
SCHEMBL13484306 0.89 CCR5 (0.84) CCR5CHRM2CHRM1CHRM3
SCHEMBL13481545 0.89 CCR5 (0.80) CCR5CHRM2CHRM1CHRM3
Vicriviroc SCHEMBL29392831 0.88 CCR5 (0.91) CCR5CHRM2CHRM1CHRM3

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-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof ALNYLAM PHARMACEUTICALS, INC. 2008-10-16 — — 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-20080255345-A1 IRNA Agents Targeting CCR5 Expressing Cells And Uses Thereof CCR5, CXCR3, CCR2 CCR5 1/4885CHRM2 3987/4885CHRM1 3862/4885

“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.

Send feedback