SCHEMBL6409816

SCHEMBL6409816

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)C(C)C)c4cccs4)CC3)C2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 5/20 0.39
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39
CACNA2D1 P54289 3/20 0.39
TSHR P16473 1/20 0.38
TP53 P04637 1/20 0.38
OPRM1 P35372 3/20 0.38
OPRL1 P41146 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
OPRD1 P41143 1/20 0.37
SLC6A2 P23975 2/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL6410498 1.00 CCR5 (0.39) CCR5MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6412431 0.99 CCR5 (0.38) CCR5MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6416623 0.99 CCR5 (0.38) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6410548 0.92 MMP1 (0.40) CCR5MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6410546 0.91 MMP1 (0.39) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6415470 0.90 OPRM1 (0.39) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6414679 0.90 CCR5 (0.40) CCR5CACNA2D1TSHRTP53OPRM1
Hydrochloric Acid SCHEMBL6409008 0.90 OPRM1 (0.39) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6409601 0.90 CCR5 (0.38) CCR5MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6410475 0.89 CCR5 (0.39) CCR5CACNA2D1TSHRTP53OPRM1

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.