SCHEMBL5058388

SCHEMBL5058388

Cc1cc(Cl)cnc1CN(Cc1nccc2ccccc12)C1CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
HCRTR1 O43613 1/20 0.37
TACR1 P25103 2/20 0.36
CCR3 P51677 3/20 0.35
CCR5 P51681 3/20 0.35
REN P00797 1/20 0.35
CYP3A4 P08684 1/20 0.35
RPLP1 P05386 2/20 0.34
RPLP0 P05388 2/20 0.34
RPS17 P08708 2/20 0.34
RPSA P08865 2/20 0.34
RPS2 P15880 2/20 0.34
RPL35A P18077 2/20 0.34
RPL7 P18124 2/20 0.34
RPL17 P18621 2/20 0.34
RPS4Y1 P22090 2/20 0.34
RPS3 P23396 2/20 0.34
RPS12 P25398 2/20 0.34
RPL13 P26373 2/20 0.34
RPL10 P27635 2/20 0.34

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
SCHEMBL23428930 0.92 HCRTR1 (0.36) ACHEHCRTR1TACR1CCR3CCR5
SCHEMBL4194732 0.91 KCNH2 (0.37) ACHECCR3CCR5RENCYP3A4
SCHEMBL2083942 0.91 HCRTR1 (0.37) ACHEHCRTR1CCR3RENCYP3A4
SCHEMBL2084600 0.88 MEN1 (0.42) ACHE
SCHEMBL2081809 0.85 MAPK8 (0.37) HCRTR1RENCYP3A4MALT1
SCHEMBL2084364 0.83 SLC6A2 (0.38) ACHETACR1RENCYP3A4KCNH2
SCHEMBL5053655 0.82 CXCR4 (0.35) CCR5CYP3A4KCNH2
SCHEMBL2083524 0.81 OPRL1 (0.36) CCR5RENCYP3A4RPLP1RPLP0
SCHEMBL5053645 0.81 NPY2R (0.35) CCR3CCR5CYP3A4KCNH2DRD4
SCHEMBL2086585 0.79 MEN1 (0.43) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 US disclosed
US-20040209921-A1 CXCR4 chemokine receptor binding comounds ANORMED CORPORATION (CA) 2004-10-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040209921-A1 CXCR4 chemokine receptor binding comounds CXCR4, CXCR1, CXCR3 ACHE 3926/4885HCRTR1 121/4885TACR1 84/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 ACHE 3767/4885HCRTR1 155/4885TACR1 103/4885

“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.