SCHEMBL6409397

SCHEMBL6409397

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)c4ccccc4Cl)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 3/20 0.47
ITGB1 P05556 3/20 0.42
ITGA4 P13612 3/20 0.42
ITGB7 P26010 3/20 0.42
UTS2R Q9UKP6 2/20 0.41
ALDH1A1 P00352 3/20 0.40
ROCK2 O75116 1/20 0.40
ROCK1 Q13464 1/20 0.40
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 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 SCHEMBL6408752 0.99 CCR5 (0.46) CCR5ITGB1ITGA4ITGB7UTS2R
SCHEMBL6409318 0.92 CCR5 (0.45) CCR5UTS2RALDH1A1ROCK2ROCK1
Hydrochloric Acid SCHEMBL5252718 0.91 CCR5 (0.45) CCR5UTS2RALDH1A1ROCK2ROCK1
SCHEMBL6418297 0.90 UTS2R (0.49) CCR5UTS2RROCK2ROCK1KMT2A
SCHEMBL6409997 0.90 ROCK2 (0.50) CCR5UTS2RROCK2ROCK1KMT2A
Hydrochloric Acid SCHEMBL6415576 0.89 UTS2R (0.48) CCR5UTS2RROCK2ROCK1
Hydrochloric Acid SCHEMBL6415177 0.89 ROCK2 (0.49) CCR5UTS2RROCK2ROCK1KMT2A
SCHEMBL6410293 0.89 UTS2R (0.42) ITGB1ITGA4ITGB7UTS2RALDH1A1
SCHEMBL6412955 0.89 UTS2R (0.53) CCR5UTS2RROCK2ROCK1
SCHEMBL6412957 0.89 CCR5 (0.51) CCR5UTS2RALDH1A1LMNAKMT2A

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 CCR5 4/4885ITGB1 1093/4885ITGA4 1716/4885

“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.