SCHEMBL6409171

SCHEMBL6409171

COc1ccc(C(=O)NC(CCN2CCC3(CC2)CCN(Cc2ccc(S(C)(=O)=O)cc2)C3=O)c2ccccc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.45
ROCK1 Q13464 3/20 0.45
CCR5 P51681 5/20 0.45
MMP1 P03956 5/20 0.43
MMP9 P14780 5/20 0.43
MMP13 P45452 5/20 0.43
ADAM17 P78536 5/20 0.43
CCR2 P41597 1/20 0.43
UTS2R Q9UKP6 4/20 0.42
PPARG P37231 1/20 0.41

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 SCHEMBL6414756 0.99 ROCK2 (0.45) ROCK2ROCK1CCR5MMP1MMP9
SCHEMBL6409997 0.94 ROCK2 (0.50) ROCK2ROCK1CCR5UTS2R
SCHEMBL6411492 0.93 UTS2R (0.48) ROCK2ROCK1CCR5CCR2UTS2R
Hydrochloric Acid SCHEMBL6415177 0.93 ROCK2 (0.49) ROCK2ROCK1CCR5UTS2R
SCHEMBL6409427 0.93 ROCK2 (0.46) ROCK2ROCK1CCR5CCR2UTS2R
Hydrochloric Acid SCHEMBL6409988 0.92 UTS2R (0.48) ROCK2ROCK1CCR5CCR2UTS2R
SCHEMBL6418297 0.92 UTS2R (0.49) ROCK2ROCK1CCR5UTS2R
Hydrochloric Acid SCHEMBL6411840 0.92 ROCK2 (0.45) ROCK2ROCK1CCR5CCR2UTS2R
SCHEMBL6416261 0.92 CCR5 (0.51) CCR5MMP1MMP9MMP13ADAM17
SCHEMBL6411490 0.92 UTS2R (0.52) ROCK2ROCK1CCR5CCR2UTS2R

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 ROCK2 1735/4885ROCK1 1002/4885CCR5 4/4885

“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.