SCHEMBL6409716

SCHEMBL6409716

CC(C)(C)OC(=O)NC(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 2/20 0.36
CCR5 P51681 4/20 0.35
DRD2 P14416 1/20 0.34
MMP1 P03956 1/20 0.34
MMP9 P14780 1/20 0.34
MMP13 P45452 1/20 0.34
ADAM17 P78536 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
SCN9A Q15858 2/20 0.34
GPR119 Q8TDV5 4/20 0.33
NAMPT P43490 2/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL6413475 0.90 DRD2 (0.36) DRD2CTSBCTSSCTSKSCN9A
SCHEMBL6409117 0.90 SMN1; SMN2 (0.42) CCR5DRD2MMP1MMP9MMP13
SCHEMBL6408483 0.89 CCR2 (0.44) CCR2CCR5CTSBCTSSCTSK
SCHEMBL6412914 0.89 CCR2 (0.44) CCR2CCR5CTSBCTSSCTSK
Hydrochloric Acid SCHEMBL6412316 0.87 CCR2 (0.40) CCR2CCR5DRD2MMP1MMP9
SCHEMBL6409363 0.87 CCR2 (0.38) CCR2CCR5DRD2CTSBCTSS
Hydrochloric Acid SCHEMBL6409803 0.87 CCR2 (0.38) CCR2CCR5DRD2MMP1MMP9
SCHEMBL6410266 0.87 CCR2 (0.38) CCR2CCR5DRD2
SCHEMBL5249697 0.87 DRD2 (0.40) CCR2CCR5DRD2MMP1MMP9
SCHEMBL6408481 0.85 DRD2 (0.41) CCR2CCR5DRD2CYP3A4

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 4/4885DRD2 1775/4885

“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.