SCHEMBL6411490

SCHEMBL6411490

CS(=O)(=O)c1ccc(CN2CCC3(CCN(CCC(NC(=O)c4ccc(Cl)cc4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.52
WDR91 A4D1P6 1/20 0.46
CCR2 P41597 1/20 0.44
CCR5 P51681 6/20 0.44
ROCK2 O75116 1/20 0.44
ROCK1 Q13464 1/20 0.44
PPARG P37231 1/20 0.43
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42

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 SCHEMBL6411234 0.99 UTS2R (0.51) UTS2RWDR91CCR2CCR5ROCK2
SCHEMBL6411492 0.95 UTS2R (0.48) UTS2RCCR2CCR5ROCK2ROCK1
Hydrochloric Acid SCHEMBL6409988 0.94 UTS2R (0.48) UTS2RCCR2CCR5ROCK2ROCK1
SCHEMBL6409516 0.92 UTS2R (0.46) UTS2RCCR2CCR5ROCK2ROCK1
SCHEMBL6411091 0.92 PPARG (0.45) UTS2RCCR2CCR5ROCK2ROCK1
SCHEMBL6409171 0.92 ROCK2 (0.45) UTS2RCCR2CCR5ROCK2ROCK1
SCHEMBL6410740 0.91 ROCK1 (0.51) UTS2RCCR2CCR5ROCK2ROCK1
Hydrochloric Acid SCHEMBL6411353 0.91 UTS2R (0.45) UTS2RCCR2CCR5ROCK2ROCK1
Hydrochloric Acid SCHEMBL6408401 0.91 PPARG (0.44) UTS2RCCR2CCR5ROCK2ROCK1
Hydrochloric Acid SCHEMBL6414756 0.91 ROCK2 (0.45) UTS2RCCR2CCR5ROCK2ROCK1

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 UTS2R 126/4885WDR91 910/4885CCR2 5/4885

“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.