SCHEMBL6409706

SCHEMBL6409706

O=C(NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.44
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
LIPG Q9Y5X9 1/20 0.42
S1PR2 O95136 2/20 0.41
S1PR4 O95977 2/20 0.41
S1PR3 Q99500 2/20 0.41
PPARG P37231 9/20 0.41
DGAT2 Q96PD7 1/20 0.41
WDR91 A4D1P6 1/20 0.39
HDAC6 Q9UBN7 1/20 0.38

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 SCHEMBL6410071 0.99 UTS2R (0.44) UTS2RROCK2ROCK1LIPGS1PR2
SCHEMBL6413738 0.91 UTS2R (0.55) UTS2RROCK2ROCK1WDR91HDAC6
SCHEMBL6408477 0.91 UTS2R (0.52) UTS2RROCK2ROCK1WDR91HDAC6
SCHEMBL6416471 0.90 UTS2R (0.49) UTS2RROCK2ROCK1S1PR4S1PR3
Hydrochloric Acid SCHEMBL6409140 0.90 UTS2R (0.55) UTS2RROCK2ROCK1WDR91HDAC6
Hydrochloric Acid SCHEMBL6412861 0.90 UTS2R (0.51) UTS2RROCK2ROCK1WDR91HDAC6
SCHEMBL5419031 0.90 ROCK2 (0.46) UTS2RROCK2ROCK1LIPGPPARG
Hydrochloric Acid SCHEMBL6409279 0.90 UTS2R (0.48) UTS2RROCK2ROCK1S1PR4S1PR3
Hydrochloric Acid SCHEMBL6409268 0.89 ROCK2 (0.45) UTS2RROCK2ROCK1LIPGPPARG
SCHEMBL6411091 0.89 PPARG (0.45) UTS2RROCK2ROCK1LIPGPPARG

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.