SCHEMBL6416207

SCHEMBL6416207

CS(=O)(=O)c1ccc(CN2CCC3(CCN(CCC(NC(=O)Cc4ccc(Cl)c(Cl)c4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 13/20 0.46
CCR2 P41597 1/20 0.43
HTT P42858 1/20 0.42
LIPG Q9Y5X9 1/20 0.41
SIGMAR1 Q99720 1/20 0.39
MMP1 P03956 1/20 0.38
MMP9 P14780 1/20 0.38
MMP13 P45452 1/20 0.38
ADAM17 P78536 1/20 0.38
POLB P06746 1/20 0.38

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 SCHEMBL6418209 0.99 CCR5 (0.45) CCR5CCR2HTTLIPGSIGMAR1
SCHEMBL6409430 0.92 CCR2 (0.46) CCR5CCR2
SCHEMBL6409637 0.92 CCR5 (0.46) CCR5CCR2SIGMAR1
Hydrochloric Acid SCHEMBL6414741 0.91 CCR2 (0.46) CCR5CCR2
Hydrochloric Acid SCHEMBL6414587 0.91 CCR5 (0.45) CCR5CCR2SIGMAR1
SCHEMBL6410282 0.91 CCR2 (0.44) CCR5CCR2
Hydrochloric Acid SCHEMBL6414655 0.90 CCR2 (0.43) CCR5CCR2
SCHEMBL6408776 0.90 CCR5 (0.46) CCR5CCR2SIGMAR1MMP1MMP9
SCHEMBL6411091 0.89 PPARG (0.45) CCR5CCR2LIPG
SCHEMBL6409255 0.89 CCR5 (0.49) CCR5HTTLIPGSIGMAR1MMP1

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 CCR5 4/4885CCR2 5/4885HTT 4137/4885

“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.