SCHEMBL2084698

SCHEMBL2084698

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Nc2ccon2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.41
FAAH O00519 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
KMT2A Q03164 1/20 0.37
PSMB11 A5LHX3 1/20 0.36
PSMA7 O14818 1/20 0.36
PSMB1 P20618 1/20 0.36
PSMA1 P25786 1/20 0.36
PSMA2 P25787 1/20 0.36
PSMA3 P25788 1/20 0.36
PSMA4 P25789 1/20 0.36
PSMB8 P28062 1/20 0.36
PSMB9 P28065 1/20 0.36
PSMA5 P28066 1/20 0.36
PSMB4 P28070 1/20 0.36
PSMB6 P28072 1/20 0.36
PSMB5 P28074 1/20 0.36
PSMB10 P40306 1/20 0.36
PSMB3 P49720 1/20 0.36
PSMB2 P49721 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
SCHEMBL2085017 0.86 TRPV1 (0.45) TRPV1FAAHKMT2AMAPTGAA
SCHEMBL2085392 0.83 TRPV1 (0.52) TRPV1FAAHMAPTGAA
SCHEMBL2085739 0.82 TRPV1 (0.43) TRPV1KMT2AMAPTGAACCR5
SCHEMBL2086100 0.81 TRPV1 (0.42) TRPV1KMT2AMAPTCCR5
SCHEMBL2084919 0.81 TDP1 (0.42) TRPV1KMT2ACCR5
SCHEMBL2084025 0.81 TDP1 (0.42) TRPV1KMT2ACCR5
SCHEMBL2084922 0.80 KMT2A (0.47) TRPV1FAAHL3MBTL1KMT2AMAPT
SCHEMBL2085220 0.80 GAA (0.50) TRPV1FAAHKMT2AMAPTGAA
SCHEMBL2084358 0.80 TRPV1 (0.42) TRPV1KMT2AMAPTGAACCR5
SCHEMBL2081000 0.79 TDP1 (0.47) TRPV1CCR5

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 11 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-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-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 TRPV1 1269/4885FAAH 2128/4885L3MBTL1 2244/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 TRPV1 625/4885FAAH 2076/4885L3MBTL1 2510/4885

“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.