SCHEMBL2085280

SCHEMBL2085280

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)N(O)Cc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR5 P51681 9/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
RPLP1 P05386 1/20 0.40
RPLP0 P05388 1/20 0.40
RPS17 P08708 1/20 0.40
RPSA P08865 1/20 0.40
RPS2 P15880 1/20 0.40
RPL35A P18077 1/20 0.40
RPL7 P18124 1/20 0.40
RPL17 P18621 1/20 0.40
RPS4Y1 P22090 1/20 0.40
RPS3 P23396 1/20 0.40
RPS12 P25398 1/20 0.40
RPL13 P26373 1/20 0.40
RPL10 P27635 1/20 0.40
RPL12 P30050 1/20 0.40
RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 1/20 0.40
RPL22 P35268 1/20 0.40
RPL4 P36578 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
SCHEMBL2082533 0.86 L3MBTL1 (0.50) CCR5MEN1KMT2AALDH1A1
SCHEMBL2084027 0.86 CCR5 (0.40) CCR5MEN1KMT2ARPLP1RPLP0
SCHEMBL4535370 0.84 CCR5 (0.44) CCR5MEN1KMT2ARPLP1RPLP0
SCHEMBL2084326 0.83 CCR5 (0.48) CCR5KMT2AKCNH2ALDH1A1
SCHEMBL2086498 0.82 GRIN2B (0.54) CCR5MEN1KMT2AALDH1A1NPSR1
Hydroxyamine SCHEMBL4518793 0.82 CCR5 (0.43) CCR5MEN1KMT2ARPLP1RPLP0
SCHEMBL2081000 0.82 TDP1 (0.47) CCR5KCNH2UBE2MDCUN1D1
SCHEMBL2082352 0.81 SMO (0.43) CCR5MEN1KMT2AKCNH2CYP2C19
SCHEMBL12935360 0.81 CCR5 (0.41) CCR5MEN1KMT2ARPLP1RPLP0
SCHEMBL2083744 0.80 BTK (0.43) CCR5MEN1KMT2AKCNH2CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US claimed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US claimed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
EP-1613613-B1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS GENZYME CORP (US) 2021-06-02 EP disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-7863293-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2011-01-04 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US disclosed
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED CORPORATION (CA) 2008-10-16 US 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-7291631-B2 CXCR4 chemokine receptor binding compounds GENZYME CORPORATION (US) 2007-11-06 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 CCR5 5/4885MEN1 4472/4885KMT2A 4082/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 CCR5 4/4885MEN1 4609/4885KMT2A 2950/4885

“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.