SCHEMBL6409940

SCHEMBL6409940

CC(C)(C)OC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1cccc(Cl)c1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 16/20 0.42
KCNH2 Q12809 1/20 0.40
CCR2 P41597 2/20 0.38
DRD2 P14416 2/20 0.36

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
SCHEMBL6409151 0.93 CCR5 (0.44) CCR5KCNH2CCR2DRD2
SCHEMBL6415609 0.93 CCR5 (0.44) CCR5KCNH2CCR2
Hydrochloric Acid SCHEMBL6415607 0.92 CCR5 (0.43) CCR5KCNH2CCR2
SCHEMBL6408483 0.92 CCR2 (0.44) CCR5CCR2
SCHEMBL6412914 0.92 CCR2 (0.44) CCR5CCR2
SCHEMBL6408481 0.91 DRD2 (0.41) CCR5CCR2DRD2
SCHEMBL6409128 0.90 CCR5 (0.46) CCR5KCNH2CCR2
SCHEMBL6408529 0.90 CCR5 (0.40) CCR5CCR2DRD2
SCHEMBL6412682 0.90 DRD2 (0.37) CCR5DRD2
Hydrochloric Acid SCHEMBL6409125 0.90 CCR5 (0.45) CCR5KCNH2CCR2

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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 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-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity CXCR1, CXCR4, CXCR2 CCR5 4/4885KCNH2 3076/4885CCR2 5/4885

“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.