SCHEMBL6409097

SCHEMBL6409097

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)c4ccncc4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 6/20 0.55
ROCK1 Q13464 6/20 0.55
CCR5 P51681 4/20 0.45
UTS2R Q9UKP6 4/20 0.44
TSHR P16473 2/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
GHSR Q92847 1/20 0.40
PRKACA P17612 2/20 0.40
GSK3A P49840 2/20 0.40
GSK3B P49841 2/20 0.40
CLK4 Q9HAZ1 2/20 0.40
CDK8 P49336 1/20 0.40
PRKX P51817 1/20 0.40
PRKCQ Q04759 1/20 0.40
CHEK1 O14757 1/20 0.40
RPS6KA5 O75582 1/20 0.40
MAP4K4 O95819 1/20 0.40
CHEK2 O96017 1/20 0.40
PRKCG P05129 1/20 0.40

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 SCHEMBL6409114 0.99 ROCK2 (0.54) ROCK2ROCK1CCR5UTS2RTSHR
SCHEMBL6409997 0.94 ROCK2 (0.50) ROCK2ROCK1CCR5UTS2RTSHR
SCHEMBL6418297 0.94 UTS2R (0.49) ROCK2ROCK1CCR5UTS2RTSHR
Hydrochloric Acid SCHEMBL6415576 0.94 UTS2R (0.48) ROCK2ROCK1CCR5UTS2RTSHR
Hydrochloric Acid SCHEMBL6415177 0.94 ROCK2 (0.49) ROCK2ROCK1CCR5UTS2RTSHR
SCHEMBL6415293 0.92 ROCK2 (0.47) ROCK2ROCK1CCR5UTS2RGHSR
SCHEMBL6412955 0.91 UTS2R (0.53) ROCK2ROCK1CCR5UTS2RCYP2D6
Hydrochloric Acid SCHEMBL6416610 0.91 ROCK2 (0.46) ROCK2ROCK1CCR5UTS2RGHSR
Hydrochloric Acid SCHEMBL6409513 0.91 UTS2R (0.52) ROCK2ROCK1CCR5UTS2R
SCHEMBL6416612 0.91 ROCK2 (0.47) ROCK2ROCK1CCR5UTS2RTSHR

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.