SCHEMBL6416009

SCHEMBL6416009

COC(=O)C(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 1/20 0.48
CCR5 P51681 18/20 0.44
MMP1 P03956 1/20 0.39
MMP9 P14780 1/20 0.39
MMP13 P45452 1/20 0.39
ADAM17 P78536 1/20 0.39

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
SCHEMBL6411240 0.88 ALDH1A1 (0.45) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6409366 0.88 HSD11B1 (0.40) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6409109 0.88 CCR2 (0.49) CCR2CCR5
SCHEMBL6418522 0.88 CCR5 (0.48) CCR2CCR5
Hydrochloric Acid SCHEMBL6408602 0.87 CCR5 (0.47) CCR2CCR5
Hydrochloric Acid SCHEMBL6412802 0.87 CCR2 (0.48) CCR2CCR5
SCHEMBL6411432 0.87 CCR2 (0.50) CCR2CCR5
SCHEMBL6417579 0.86 CCR2 (0.46) CCR2CCR5
Hydrochloric Acid SCHEMBL6415620 0.86 CCR2 (0.49) CCR2CCR5
SCHEMBL6415582 0.86 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 2 patents. 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
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 5/4885CCR5 4/4885MMP1 873/4885

“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.