SCHEMBL2084734

SCHEMBL2084734

Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(F)cc2)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.38
CXCR4 P61073 2/20 0.33
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
HSD11B1 P28845 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL2084322 0.94 TRPV1 (0.36) TRPV1HSD11B1
SCHEMBL2085583 0.94 TRPV1 (0.36) TRPV1CXCR4USP2HSD11B1JAK2
SCHEMBL2084312 0.93 HSD11B1 (0.37) TRPV1CXCR4HSD11B1CYP3A4
SCHEMBL2084834 0.89 TRPV1 (0.38) TRPV1CXCR4USP2TSHRCYP3A4
SCHEMBL4035824 0.88 CYP3A4 (0.35) TRPV1CXCR4CYP3A4
SCHEMBL2080848 0.88 TRPV1 (0.34) TRPV1HSD11B1JAK2JAK1
SCHEMBL5051530 0.86 SMO (0.36) TRPV1CXCR4CYP3A4
SCHEMBL23428751 0.85 CXCR4 (0.36) TRPV1CXCR4CYP3A4
SCHEMBL23428899 0.84 TRPV1 (0.36) TRPV1HSD11B1
SCHEMBL2083669 0.84 MEN1 (0.44)

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 625/4885CXCR4 1/4885USP2 4136/4885

“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.