SCHEMBL6410282

SCHEMBL6410282

CS(=O)(=O)c1ccc(CN2CCC3(CCN(CCC(NC(=O)Cc4ccccc4Cl)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.44

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.44
CCR5 P51681 18/20 0.41
RORC P51449 1/20 0.39

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
Hydrochloric Acid SCHEMBL6414655 0.99 CCR2 (0.43) CCR2CCR5RORC
SCHEMBL6409430 0.92 CCR2 (0.46) CCR2CCR5
Hydrochloric Acid SCHEMBL6414741 0.91 CCR2 (0.46) CCR2CCR5
SCHEMBL6416207 0.91 CCR5 (0.46) CCR2CCR5
SCHEMBL6414876 0.90 CCR2 (0.42) CCR2CCR5
Hydrochloric Acid SCHEMBL6418209 0.90 CCR5 (0.45) CCR2CCR5
Hydrochloric Acid SCHEMBL6410248 0.89 CCR2 (0.42) CCR2CCR5
SCHEMBL6412957 0.89 CCR5 (0.51) CCR5
SCHEMBL6417591 0.89 SIGMAR1 (0.39) CCR5
Hydrochloric Acid SCHEMBL6416142 0.89 CCR2 (0.48) CCR2CCR5

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 claimed

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 CCR2 5/4885CCR5 4/4885RORC 149/4885

“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.