SCHEMBL2084358

SCHEMBL2084358

Cc1cccnc1CN(Cc1ncccc1C)C1CCN(C(=O)Nc2ncc[nH]2)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 5/20 0.42
MAPT P10636 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD11B1 P28845 1/20 0.37
ACKR3 P25106 2/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP2D6 P10635 1/20 0.36
CCR5 P51681 1/20 0.36
CXCR4 P61073 1/20 0.36
POLB P06746 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL2083906 0.85 CXCR4 (0.36) TRPV1MAPTCYP2D6CXCR4POLB
SCHEMBL2084263 0.85 NPC1 (0.46) MAPTKMT2ATDP1POLB
SCHEMBL2083151 0.84 CCR2 (0.34) TRPV1CXCR4
SCHEMBL2085392 0.84 TRPV1 (0.52) TRPV1MAPTGAATDP1KDM4E
SCHEMBL2085739 0.83 TRPV1 (0.43) TRPV1MAPTGAAKMT2AHSD11B1
SCHEMBL2085017 0.83 TRPV1 (0.45) TRPV1MAPTGAAKMT2ACCR5
SCHEMBL4038763 0.83 CCR5 (0.41) KMT2AHSD11B1ACKR3CCR5CXCR4
SCHEMBL2086100 0.82 TRPV1 (0.42) TRPV1MAPTKMT2AHSD11B1ACKR3
SCHEMBL2084919 0.82 TDP1 (0.42) TRPV1KMT2AHSD11B1ACKR3TDP1
SCHEMBL2085583 0.82 TRPV1 (0.36) TRPV1HSD11B1CXCR4JAK2JAK1

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
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-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 625/4885MAPT 4426/4885GAA 4741/4885

“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.