SCHEMBL6412955

SCHEMBL6412955

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)c4ccc(Cl)cc4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 9/20 0.53
ROCK2 O75116 3/20 0.47
ROCK1 Q13464 3/20 0.47
WDR91 A4D1P6 1/20 0.47
CCR5 P51681 1/20 0.45
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
CYP2D6 P10635 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 SCHEMBL6409513 0.99 UTS2R (0.52) UTS2RROCK2ROCK1WDR91CCR5
SCHEMBL6409997 0.97 ROCK2 (0.50) UTS2RROCK2ROCK1WDR91CCR5
Hydrochloric Acid SCHEMBL6415177 0.96 ROCK2 (0.49) UTS2RROCK2ROCK1CCR5CYP2D6
SCHEMBL6418297 0.95 UTS2R (0.49) UTS2RROCK2ROCK1CCR5CYP2D6
Hydrochloric Acid SCHEMBL6415576 0.94 UTS2R (0.48) UTS2RROCK2ROCK1CCR5CYP2D6
SCHEMBL6416612 0.93 ROCK2 (0.47) UTS2RROCK2ROCK1CCR5CYP2D6
Hydrochloric Acid SCHEMBL6409814 0.92 ROCK2 (0.46) UTS2RROCK2ROCK1CCR5CYP2D6
SCHEMBL6414689 0.91 UTS2R (0.47) UTS2RROCK2ROCK1CCR5
SCHEMBL5419031 0.91 ROCK2 (0.46) UTS2RROCK2ROCK1CCR5
SCHEMBL6409097 0.91 ROCK2 (0.55) UTS2RROCK2ROCK1CCR5CYP2D6

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 126/4885ROCK2 1735/4885ROCK1 1002/4885

“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.