SCHEMBL4914739

SCHEMBL4914739

CN(C(=O)CC1CCN(S(C)(=O)=O)CC1)C1CCN(CC[C@@H](c2cc(F)cc(F)c2)C2CCN(S(C)(=O)=O)CC2)CC1

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 15/20 0.63
KCNH2 Q12809 11/20 0.63
CYP2D6 P10635 2/20 0.63
CYP3A4 P08684 1/20 0.63
CCL5 P13501 2/20 0.48
NPY5R Q15761 2/20 0.44

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
SCHEMBL4909355 0.90 CCR5 (0.74) CCR5KCNH2CYP2D6CYP3A4
SCHEMBL4912506 0.89 CCR5 (0.64) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4910561 0.89 CCR5 (0.65) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4915650 0.88 CCR5 (0.64) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4913842 0.87 CCR5 (0.63) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4911584 0.87 CCR5 (0.60) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4915469 0.87 CCR5 (0.72) CCR5KCNH2CYP2D6CYP3A4
SCHEMBL4912473 0.86 CCR5 (0.62) CCR5KCNH2CYP2D6CYP3A4CCL5
SCHEMBL4915550 0.86 CCR5 (0.70) CCR5KCNH2CYP2D6CYP3A4
SCHEMBL4915712 0.86 CCR5 (0.68) CCR5KCNH2CYP2D6CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
US-20080200460-A1 Chemical Compounds BROWN DEARG 2008-08-21 US disclosed
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.