SCHEMBL4915643

SCHEMBL4915643

CS(=O)(=O)N1CCC([C@@H](CCN2CCC(NCC3CC3)CC2)c2cc(F)cc(F)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 14/20 0.54
KCNH2 Q12809 9/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
CCL5 P13501 6/20 0.47
OPRL1 P41146 1/20 0.41
CCR3 P51677 1/20 0.40

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
SCHEMBL2766400 0.91 CCR5 (0.56) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL4907587 0.89 CCR5 (0.55) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL4910132 0.88 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3595208 0.86 CCR5 (0.61) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL13376794 0.85 CCR5 (0.55) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL4912503 0.85 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL5499196 0.84 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL5221963 0.84 CCR5 (0.57) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL5217699 0.82 CCR5 (0.56) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL4915433 0.81 CCR5 (0.65) CCR5KCNH2CYP3A4CYP2D6CCL5

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 2817/4885CYP3A4 418/4885

“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.