SCHEMBL6410591

SCHEMBL6410591

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)c4cccc(OC)c4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.49
ROCK1 Q13464 2/20 0.49
CCR5 P51681 1/20 0.45
UTS2R Q9UKP6 2/20 0.44
DRD4 P21917 3/20 0.44
GPR139 Q6DWJ6 4/20 0.44
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
S1PR3 Q99500 1/20 0.42
CTSS P25774 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 SCHEMBL6412334 0.99 ROCK2 (0.49) ROCK2ROCK1CCR5UTS2RDRD4
SCHEMBL6418297 0.95 UTS2R (0.49) ROCK2ROCK1CCR5UTS2RKMT2A
SCHEMBL6414689 0.94 UTS2R (0.47) ROCK2ROCK1CCR5UTS2RDRD4
SCHEMBL6409636 0.94 ROCK2 (0.47) ROCK2ROCK1CCR5UTS2RDRD4
Hydrochloric Acid SCHEMBL6415576 0.94 UTS2R (0.48) ROCK2ROCK1CCR5UTS2R
Hydrochloric Acid SCHEMBL6412116 0.94 ROCK2 (0.47) ROCK2ROCK1CCR5UTS2RDRD4
Hydrochloric Acid SCHEMBL6416166 0.94 UTS2R (0.46) ROCK2ROCK1CCR5UTS2RDRD4
SCHEMBL6409997 0.93 ROCK2 (0.50) ROCK2ROCK1CCR5UTS2RKMT2A
Hydrochloric Acid SCHEMBL6415177 0.93 ROCK2 (0.49) ROCK2ROCK1CCR5UTS2RKMT2A
SCHEMBL6409427 0.92 ROCK2 (0.46) ROCK2ROCK1CCR5UTS2RDRD4

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.