SCHEMBL6410451

SCHEMBL6410451

O=C(Cc1ccccc1Cl)NC(CCN1CCC2(CC1)CCN(Cc1cccnc1)C2=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.46
HCRTR2 O43614 1/20 0.40
CXCR4 P61073 1/20 0.40
SIGMAR1 Q99720 2/20 0.39
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CLPP Q16740 1/20 0.37
CCR5 P51681 2/20 0.37
EPHX2 P34913 1/20 0.36
BCHE P06276 1/20 0.36
CHRM2 P08172 1/20 0.36

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 SCHEMBL6409158 0.99 POLB (0.45) POLBHCRTR2CXCR4SIGMAR1ROCK2
SCHEMBL6409327 0.92 HCRTR2 (0.43) HCRTR2SIGMAR1ROCK2ROCK1ALDH1A1
Hydrochloric Acid SCHEMBL6409905 0.91 HCRTR2 (0.43) HCRTR2SIGMAR1ROCK2ROCK1ALDH1A1
SCHEMBL6415267 0.90 HTT (0.43) HCRTR2SIGMAR1CCR5
Hydrochloric Acid SCHEMBL6408556 0.89 HTT (0.42) HCRTR2SIGMAR1CCR5
SCHEMBL6412985 0.89 HCRTR2 (0.40) HCRTR2SIGMAR1ROCK2ROCK1ALDH1A1
SCHEMBL6411451 0.89 MAPK1 (0.44) POLBHCRTR2SIGMAR1ROCK2ROCK1
Hydrochloric Acid SCHEMBL6415597 0.89 HCRTR2 (0.40) HCRTR2SIGMAR1ROCK2ROCK1ALDH1A1
SCHEMBL6409526 0.88 GAA (0.43) POLBHCRTR2ROCK2ROCK1ALDH1A1
Hydrochloric Acid SCHEMBL6412418 0.88 MAPK1 (0.43) POLBHCRTR2SIGMAR1ROCK2ROCK1

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 POLB 3564/4885HCRTR2 247/4885CXCR4 2/4885

“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.