SCHEMBL4905463

SCHEMBL4905463

CC(C)CN(C(=O)CN1CCN(S(C)(=O)=O)CC1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.65
KCNH2 Q12809 12/20 0.65
CYP2D6 P10635 2/20 0.65
CYP3A4 P08684 1/20 0.65
CCL5 P13501 2/20 0.46

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
SCHEMBL4911483 0.94 CCR5 (0.63) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4905040 0.94 CCR5 (0.60) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4912461 0.94 CCR5 (0.61) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4912982 0.93 CCR5 (0.61) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4912984 0.93 CCR5 (0.61) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4915781 0.92 CCR5 (0.58) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4913888 0.92 CCR5 (0.75) CCR5KCNH2CYP2D6CYP3A4
SCHEMBL4907653 0.92 CCR5 (0.68) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4915650 0.91 CCR5 (0.64) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4921214 0.90 CCR5 (0.56) CCR5KCNH2CYP2D6CYP3A4CCL5

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-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 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-20080200460-A1 Chemical Compounds CCR5, CXCR4, CXCR5 CCR5 1/4885KCNH2 2817/4885CYP2D6 198/4885

“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.