SCHEMBL2085220

SCHEMBL2085220

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Nc2nccs2)CC1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
CYP2D6 P10635 1/20 0.47
LMNA P02545 1/20 0.43
KMT2A Q03164 1/20 0.43
FAAH O00519 3/20 0.42
TRPV1 Q8NER1 1/20 0.42
KCNA5 P22460 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PPARG P37231 1/20 0.41
NCOR2 Q9Y618 1/20 0.41
SPR P35270 1/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.40
PKM P14618 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
SCHEMBL2084354 0.85 CYP2D6 (0.41) GAACYP2D6FAAHTRPV1KCNA5
SCHEMBL2085392 0.84 TRPV1 (0.52) GAALMNAFAAHTRPV1NPC1
SCHEMBL2085739 0.83 TRPV1 (0.43) GAAKMT2ATRPV1KDM4EMAPT
SCHEMBL2085017 0.83 TRPV1 (0.45) GAAKMT2AFAAHTRPV1NPC1
SCHEMBL2084166 0.82 SMN1; SMN2 (0.52) GAALMNAKMT2ATRPV1NPC1
SCHEMBL2084919 0.82 TDP1 (0.42) KMT2ATRPV1KDM4E
SCHEMBL2086100 0.82 TRPV1 (0.42) KMT2ATRPV1KDM4EMAPT
SCHEMBL2081000 0.82 TDP1 (0.47) LMNATRPV1
SCHEMBL2084025 0.81 TDP1 (0.42) KMT2ATRPV1KDM4E
SCHEMBL2084922 0.81 KMT2A (0.47) GAAKMT2AFAAHTRPV1MAPT

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 17 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
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-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
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP 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
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO 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 GAA 4838/4885CYP2D6 2228/4885LMNA 4525/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 GAA 4741/4885CYP2D6 2881/4885LMNA 4691/4885

“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.