SCHEMBL2085583

SCHEMBL2085583

Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccccc2)C2CCN(C(=O)Nc3ncc[nH]3)CC2)c(C)c1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 3/20 0.36
HSD11B1 P28845 1/20 0.35
CXCR4 P61073 2/20 0.34
RBP4 P02753 1/20 0.32
USP2 O75604 1/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
CCR2 P41597 1/20 0.31
SMO Q99835 1/20 0.31
JUN P05412 1/20 0.31
MAPK8 P45983 1/20 0.31
MAPK9 P45984 1/20 0.31
MAPK10 P53779 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
SCHEMBL2084312 0.94 HSD11B1 (0.37) TRPV1HSD11B1CXCR4RBP4SMO
SCHEMBL2084734 0.94 TRPV1 (0.38) TRPV1HSD11B1CXCR4USP2JAK2
SCHEMBL2080848 0.94 TRPV1 (0.34) TRPV1HSD11B1RBP4JAK2JAK1
SCHEMBL2081761 0.88 TRPV1 (0.36) TRPV1HSD11B1CXCR4SMO
SCHEMBL2084322 0.88 TRPV1 (0.36) TRPV1HSD11B1RBP4
SCHEMBL5053640 0.86 CXCR4 (0.37) TRPV1HSD11B1CXCR4RBP4SMO
SCHEMBL2083906 0.84 CXCR4 (0.36) TRPV1CXCR4CCR2SMO
SCHEMBL23428899 0.84 TRPV1 (0.36) TRPV1HSD11B1SMO
SCHEMBL2083396 0.83 JUN (0.37) HSD11B1CXCR4USP2JAK2JAK1
SCHEMBL2084361 0.83 MEN1 (0.45)

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 10 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-20140140927-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT THE GENERAL HOSPITAL CORPORATION (US) 2014-05-22 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-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 (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-20140140927-A1 CROMOLYN DERIVATIVES AND RELATED METHODS OF IMAGING AND TREATMENT PSEN1, PSEN2, CROCC TRPV1 4816/4885HSD11B1 85/4885CXCR4 10/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 TRPV1 625/4885HSD11B1 1467/4885CXCR4 1/4885

“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.