SCHEMBL6417595

SCHEMBL6417595

CS(=O)(=O)c1ccc(CN2CCC3(CCN(CCC(C(=O)NC4CCCC4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.49
CCR5 P51681 16/20 0.46
CCR8 P51685 1/20 0.44
ALDH1A1 P00352 1/20 0.41

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 SCHEMBL6411287 0.99 CCR2 (0.48) CCR2CCR5CCR8
SCHEMBL5251327 0.99 CCR2 (0.48) CCR2CCR5CCR8
Hydrochloric Acid SCHEMBL6412625 0.98 CCR2 (0.47) CCR2CCR5CCR8
SCHEMBL6410305 0.98 CCR2 (0.47) CCR2CCR5CCR8
Hydrochloric Acid SCHEMBL6412222 0.98 CCR2 (0.46) CCR2CCR5CCR8
SCHEMBL6417579 0.97 CCR2 (0.46) CCR2CCR5CCR8
Hydrochloric Acid SCHEMBL6409191 0.96 CCR2 (0.45) CCR2CCR5CCR8
SCHEMBL6409109 0.89 CCR2 (0.49) CCR2CCR5
SCHEMBL6414710 0.89 CCR8 (0.44) CCR5CCR8ALDH1A1
SCHEMBL6409421 0.88 CCR8 (0.51) CCR5CCR8ALDH1A1

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 4/4885CCR8 17/4885

“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.