Vicriviroc

Vicriviroc

SCHEMBL4638191

COC[C@@H](c1ccc(C(F)(F)F)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)CC1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

CCR5

The experimentally established mechanism targets of Vicriviroc. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR5 known ✓ P51681 20/20 1.00
▸ CHRM2 P08172 16/20 0.84
▸ CHRM1 P11229 4/20 0.84
▸ CHRM3 P20309 2/20 0.84

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 SCHEMBL15375740 1.00 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
Vicriviroc SCHEMBL118885 1.00 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
Vicriviroc SCHEMBL4447817 1.00 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
Vicriviroc SCHEMBL29392831 0.96 CCR5 (0.91) CCR5CHRM2CHRM1CHRM3
SCHEMBL19656878 0.95 CCR5 (0.91) CCR5CHRM2CHRM1CHRM3
Vicriviroc SCHEMBL3321008 0.95 CCR5 (0.90) CCR5CHRM2CHRM1CHRM3
SCHEMBL14032029 0.92 CCR5 (0.85) CCR5CHRM2CHRM1CHRM3
SCHEMBL13484306 0.92 CCR5 (0.84) CCR5CHRM2CHRM1CHRM3
SCHEMBL15199622 0.91 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL10073358 0.91 CCR5 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 — — US claimed
WO-2006129134-A1 SYNERGIC COMBINATIONS COMPRISING A STYRYLQUINOLINE COMPOUND AND OTHER HIV INFECTION THERAPEUTIC AGENTS BIOALLIANCE PHARMA (FR) 2006-12-07 — — WO claimed
EP-1951708-B1 PIPERAZINE DERIVATIVE USEFUL AS A CCR5 ANTAGONIST MERCK SHARP & DOHME (US) 2013-11-20 — — EP disclosed
US-8034921-B2 Chemokine receptors (CCR5); double stranded RNA; gene knockout ALNYLAM PHARMACEUTICALS, INC. (US) 2011-10-11 — — US disclosed
US-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2008-11-13 — — US disclosed
EP-1951708-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2008-08-06 — — EP disclosed
WO-2007050375-A2 PIPERAZINE DERIVATIVES USEFUL AS CCR5 ANTAGONISTS SCHERING CORPORATION (US) 2007-05-03 — — WO disclosed
WO-2006129134-A1 SYNERGIC COMBINATIONS COMPRISING A STYRYLQUINOLINE COMPOUND AND OTHER HIV INFECTION THERAPEUTIC AGENTS BIOALLIANCE PHARMA (FR) 2006-12-07 — — 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-20080280849-A1 Synergic Combinations Comprising a Quinoline Compound and Other Hiv Infection Therapeutic Agents CTSL, CDKL1, QTRT2 CCR5 145/4885CHRM2 4710/4885CHRM1 4475/4885

“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.

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