SCHEMBL6408477

SCHEMBL6408477

O=C(NC(CCN1CCC2(CC1)CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
UTS2R Q9UKP6 4/20 0.52
ROCK2 O75116 1/20 0.47
ROCK1 Q13464 1/20 0.47
CCR5 P51681 4/20 0.43
ACE2 Q9BYF1 1/20 0.42
HDAC1 Q13547 3/20 0.42
HDAC6 Q9UBN7 3/20 0.42
LMNA P02545 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
WDR91 A4D1P6 1/20 0.41
RIPK1 Q13546 1/20 0.41
MCHR1 Q99705 3/20 0.40
HDAC8 Q9BY41 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 SCHEMBL6412861 0.99 UTS2R (0.51) UTS2RROCK2ROCK1CCR5ACE2
SCHEMBL6413738 0.95 UTS2R (0.55) UTS2RROCK2ROCK1CCR5HDAC1
Hydrochloric Acid SCHEMBL6409140 0.94 UTS2R (0.55) UTS2RROCK2ROCK1CCR5HDAC1
SCHEMBL6411896 0.94 ROCK1 (0.54) UTS2RROCK2ROCK1CCR5HDAC1
Hydrochloric Acid SCHEMBL6414705 0.93 ROCK1 (0.54) UTS2RROCK2ROCK1CCR5HDAC1
SCHEMBL6416471 0.93 UTS2R (0.49) UTS2RROCK2ROCK1CCR5WDR91
SCHEMBL6408926 0.93 UTS2R (0.49) UTS2RROCK2ROCK1CCR5ACE2
SCHEMBL6416612 0.92 ROCK2 (0.47) UTS2RROCK2ROCK1CCR5HDAC1
Hydrochloric Acid SCHEMBL6415367 0.92 UTS2R (0.48) UTS2RROCK2ROCK1CCR5ACE2
Hydrochloric Acid SCHEMBL6409279 0.92 UTS2R (0.48) UTS2RROCK2ROCK1CCR5WDR91

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.