SCHEMBL6416562

SCHEMBL6416562

COC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1OC

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 3/20 0.40
MMP1 P03956 5/20 0.37
MMP9 P14780 5/20 0.37
MMP13 P45452 5/20 0.37
ADAM17 P78536 5/20 0.37
CCR5 P51681 5/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
ITGB1 P05556 3/20 0.36
ITGA4 P13612 3/20 0.36
ITGB7 P26010 2/20 0.36
PRMT5 O14744 2/20 0.35
WDR77 Q9BQA1 2/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35

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 SCHEMBL6416556 0.99 CCR2 (0.39) CCR2MMP1MMP9MMP13ADAM17
SCHEMBL6417319 0.94 CCR2 (0.38) CCR2CCR5ITGB1ITGA4ITGB7
Hydrochloric Acid SCHEMBL6417314 0.93 CCR2 (0.37) CCR2CCR5ITGB1ITGA4ITGB7
SCHEMBL5249697 0.93 DRD2 (0.40) CCR2MMP1MMP9MMP13ADAM17
SCHEMBL6410809 0.92 CCR2 (0.40) CCR2MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6415551 0.91 CCR2 (0.38) CCR2MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6412865 0.91 CCR2 (0.40) CCR2MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6410804 0.91 CCR2 (0.39) CCR2MMP1MMP9MMP13ADAM17
Hydrochloric Acid SCHEMBL6416678 0.91 CCR2 (0.38) CCR2MMP1MMP9MMP13ADAM17
SCHEMBL6415582 0.90 CCR2 (0.47) 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 disclosed

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 5/4885MMP1 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.