SCHEMBL5249697

SCHEMBL5249697

COc1ccccc1C(CCN1CCC2(CC1)CCN(Cc1ccc(S(C)(=O)=O)cc1)C2=O)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.40
CCR2 P41597 3/20 0.37
DRD3 P35462 1/20 0.36
CCR5 P51681 4/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
MMP1 P03956 2/20 0.34
MMP9 P14780 2/20 0.34
MMP13 P45452 2/20 0.34
ADAM17 P78536 2/20 0.34
ITGB1 P05556 1/20 0.34
ITGA4 P13612 1/20 0.34
ITGB7 P26010 1/20 0.34
GPR119 Q8TDV5 1/20 0.34

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
SCHEMBL6416562 0.93 CCR2 (0.40) DRD2CCR2DRD3CCR5HCRTR1
Hydrochloric Acid SCHEMBL6416556 0.92 CCR2 (0.39) DRD2CCR2DRD3CCR5HCRTR1
SCHEMBL6409363 0.92 CCR2 (0.38) DRD2CCR2CCR5CTSBCTSS
SCHEMBL6411281 0.91 DRD2 (0.42) DRD2CCR5CTSBCTSSCTSK
SCHEMBL6417319 0.90 CCR2 (0.38) CCR2CCR5ITGB1ITGA4ITGB7
SCHEMBL6408469 0.90 DRD2 (0.41) DRD2DRD3CTSBCTSSCTSK
SCHEMBL6412914 0.90 CCR2 (0.44) CCR2CCR5CTSBCTSSCTSK
SCHEMBL6408483 0.90 CCR2 (0.44) CCR2CCR5CTSBCTSSCTSK
Hydrochloric Acid SCHEMBL6417314 0.89 CCR2 (0.37) CCR2CCR5ITGB1ITGA4ITGB7
SCHEMBL6414389 0.89 CCR5 (0.37) DRD2CCR2CCR5GPR119

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 4 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
EP-1776362-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY Virochem Pharma Inc. (CA) 2007-04-25 EP disclosed
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US disclosed
WO-2005007656-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2005-01-27 WO 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 DRD2 1775/4885CCR2 5/4885DRD3 1068/4885

“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.