SCHEMBL6411091

SCHEMBL6411091

CS(=O)(=O)c1ccc(CN2CCC3(CCN(CCC(NC(=O)c4ccc(Cl)c(Cl)c4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PPARG P37231 9/20 0.45
CCR5 P51681 2/20 0.44
CCR2 P41597 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
UTS2R Q9UKP6 4/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
TACR1 P25103 1/20 0.40
DGAT2 Q96PD7 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
Hydrochloric Acid SCHEMBL6408401 0.99 PPARG (0.44) PPARGCCR5CCR2LIPGUTS2R
SCHEMBL6411490 0.92 UTS2R (0.52) PPARGCCR5CCR2UTS2RROCK2
SCHEMBL6411492 0.91 UTS2R (0.48) PPARGCCR5CCR2UTS2RROCK2
SCHEMBL6409516 0.91 UTS2R (0.46) PPARGCCR5CCR2UTS2RROCK2
Hydrochloric Acid SCHEMBL6411234 0.91 UTS2R (0.51) PPARGCCR5CCR2UTS2RROCK2
Hydrochloric Acid SCHEMBL6409988 0.91 UTS2R (0.48) PPARGCCR5CCR2UTS2RROCK2
Hydrochloric Acid SCHEMBL6411353 0.90 UTS2R (0.45) PPARGCCR5CCR2UTS2RROCK2
SCHEMBL6416207 0.89 CCR5 (0.46) CCR5CCR2LIPG
SCHEMBL6409706 0.89 UTS2R (0.44) PPARGLIPGUTS2RROCK2ROCK1
SCHEMBL6409386 0.89 PPARG (0.43) PPARGCCR5CCR2UTS2RROCK2

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 PPARG 171/4885CCR5 4/4885CCR2 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.