SCHEMBL5419031

SCHEMBL5419031

COc1ccc(CN2CCC3(CCN(CCC(NC(=O)c4ccc(Cl)c(Cl)c4)c4ccccc4)CC3)C2=O)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.46
ROCK1 Q13464 3/20 0.46
CCR5 P51681 1/20 0.43
UTS2R Q9UKP6 5/20 0.43
LIPG Q9Y5X9 1/20 0.43
PPARG P37231 6/20 0.41
CCR3 P51677 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
RECQL P46063 1/20 0.41
MAPT P10636 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 SCHEMBL6409268 0.99 ROCK2 (0.45) ROCK2ROCK1CCR5UTS2RLIPG
SCHEMBL6409997 0.93 ROCK2 (0.50) ROCK2ROCK1CCR5UTS2R
Hydrochloric Acid SCHEMBL6415177 0.92 ROCK2 (0.49) ROCK2ROCK1CCR5UTS2R
SCHEMBL6412955 0.91 UTS2R (0.53) ROCK2ROCK1CCR5UTS2R
SCHEMBL6410591 0.91 ROCK2 (0.49) ROCK2ROCK1CCR5UTS2RMAPT
SCHEMBL6418297 0.91 UTS2R (0.49) ROCK2ROCK1CCR5UTS2R
SCHEMBL6415211 0.91 ROCK2 (0.46) ROCK2ROCK1CCR5UTS2RMAPT
SCHEMBL6414689 0.91 UTS2R (0.47) ROCK2ROCK1CCR5UTS2R
Hydrochloric Acid SCHEMBL6412334 0.91 ROCK2 (0.49) ROCK2ROCK1CCR5UTS2RMAPT
Hydrochloric Acid SCHEMBL6409513 0.91 UTS2R (0.52) ROCK2ROCK1CCR5UTS2R

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1776362-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY Virochem Pharma Inc. (CA) 2007-04-25 EP claimed
US-20050075326-A1 Spiro compounds and methods for the modulation of chemokine receptor activity VIROCHEM PHARMA INC (CA) 2005-04-07 US claimed
WO-2005007656-A1 SPIRO COMPOUNDS AND METHODS FOR THE MODULATION OF CHEMOKINE RECEPTOR ACTIVITY VIROCHEM PHARMA INC. (CA) 2005-01-27 WO 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.