SCHEMBL6414663

SCHEMBL6414663

COCC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1cccs1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.37
MMP1 P03956 1/20 0.36
MMP9 P14780 1/20 0.36
MMP13 P45452 1/20 0.36
ADAM17 P78536 1/20 0.36
CCR2 P41597 3/20 0.35
CACNA2D1 P54289 2/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC6A2 P23975 2/20 0.32
PRMT5 O14744 2/20 0.32
WDR77 Q9BQA1 2/20 0.32

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 SCHEMBL6409405 0.99 CCR5 (0.37) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6410538 0.92 CCR5 (0.37) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6415581 0.92 CCR2 (0.39) CCR5CCR2
Hydrochloric Acid SCHEMBL6410534 0.91 CCR5 (0.36) CCR5MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6408819 0.91 CCR2 (0.38) CCR5CCR2
SCHEMBL6415315 0.90 CCR5 (0.38) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6409601 0.90 CCR5 (0.38) CCR5MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6413215 0.89 CCR5 (0.38) CCR5MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6408374 0.89 CCR5 (0.38) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6418723 0.88 CCR5 (0.38) CCR5MMP1MMP9MMP13ADAM17

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 4/4885MMP1 873/4885MMP9 884/4885

“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.