SCHEMBL2084786

SCHEMBL2084786

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

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 2/20 0.40
KDM4E B2RXH2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CCR5 P51681 2/20 0.38
CXCR4 P61073 1/20 0.38
BRD4 O60885 1/20 0.38
SCD O00767 1/20 0.37
GRIN2B Q13224 2/20 0.37
MLLT1 Q03111 1/20 0.36
SSTR4 P31391 1/20 0.36
ACKR3 P25106 2/20 0.36
CHRM4 P08173 1/20 0.36
KCNH2 Q12809 1/20 0.35
KMT2A Q03164 1/20 0.35
NAMPT P43490 1/20 0.35

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
SCHEMBL2084025 0.91 TDP1 (0.42) TRPV1KDM4ETDP1CCR5CXCR4
SCHEMBL2086100 0.88 TRPV1 (0.42) TRPV1KDM4ETDP1CCR5CXCR4
SCHEMBL2085739 0.87 TRPV1 (0.43) TRPV1KDM4ETDP1CCR5CXCR4
SCHEMBL2084919 0.86 TDP1 (0.42) TRPV1KDM4ETDP1CCR5CXCR4
SCHEMBL2086498 0.85 GRIN2B (0.54) KDM4ETDP1CCR5GRIN2BMLLT1
SCHEMBL2082352 0.84 SMO (0.43) TRPV1KDM4ETDP1CCR5CXCR4
SCHEMBL4535370 0.83 CCR5 (0.44) TRPV1KDM4ETDP1CCR5CXCR4
SCHEMBL2081000 0.83 TDP1 (0.47) TRPV1TDP1CCR5CXCR4ACKR3
SCHEMBL2085392 0.83 TRPV1 (0.52) TRPV1KDM4ETDP1
SCHEMBL2085017 0.82 TRPV1 (0.45) TRPV1CCR5KMT2A

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 8 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-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-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

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-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 TRPV1 625/4885KDM4E 3210/4885TDP1 3540/4885

“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.