SCHEMBL12420339

SCHEMBL12420339

CCCCCCCCC[C@@H](c1ccc(C)cc1)N1CCN(C2(C)CCN(C(=O)c3c(C)ncnc3C)CC2)C[C@@H]1C

nearest known ligand 0.73

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 20/20 0.73
▸ CHRM2 P08172 12/20 0.73
▸ CHRM1 P11229 4/20 0.73
▸ CHRM3 P20309 2/20 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
SCHEMBL18541410 1.00 CCR5 (0.73) CCR5CHRM2CHRM1CHRM3
SCHEMBL410793 0.91 CCR5 (0.83) CCR5CHRM2CHRM1CHRM3
SCHEMBL12531415 0.89 CCR5 (0.74) CCR5CHRM2CHRM1CHRM3
SCHEMBL16503427 0.87 CCR5 (0.84) CCR5CHRM2CHRM1CHRM3
SCHEMBL12531292 0.84 CCR5 (0.86) CCR5CHRM2CHRM1CHRM3
SCHEMBL12796162 0.84 CCR5 (0.69) CCR5CHRM2CHRM1CHRM3
SCHEMBL12531332 0.82 CCR5 (0.68) CCR5CHRM2CHRM1CHRM3
SCHEMBL15199622 0.82 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL10073358 0.82 CCR5 (1.00) CCR5CHRM2CHRM1CHRM3
SCHEMBL411291 0.82 CCR5 (0.69) 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-20110200592-A1 Methods For Reducing Viral Load in HIV-1 Infected Patients CYTODYN, INC. 2011-08-18 — — 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-20110200592-A1 Methods For Reducing Viral Load in HIV-1 Infected Patients CD4, CCR5, HAVCR2 CCR5 2/4885CHRM2 1763/4885CHRM1 553/4885

“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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