SCHEMBL2084094

SCHEMBL2084094

Cc1cc(Cl)cnc1CN(Cc1ncccc1C(C)(C)c1ccc(F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
FNTA P49354 2/20 0.39
FNTB P49356 2/20 0.39
GPR119 Q8TDV5 8/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.37
SQOR Q9Y6N5 1/20 0.36
LMNA P02545 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
SCHEMBL2084970 0.93 MEN1 (0.44) MEN1KMT2AFNTAFNTBGPR119
SCHEMBL2083669 0.93 MEN1 (0.44) MEN1KMT2AGPR119TP53SQOR
SCHEMBL5054917 0.91 SMO (0.35) MEN1KMT2A
SCHEMBL2084212 0.90 MEN1 (0.44) MEN1KMT2AFNTAFNTBGPR119
SCHEMBL2082908 0.89 TRPV1 (0.36) FNTAFNTB
SCHEMBL2084361 0.86 MEN1 (0.45) MEN1KMT2AGPR119TP53POLB
SCHEMBL2084322 0.85 TRPV1 (0.36)
SCHEMBL5053645 0.84 NPY2R (0.35) MEN1KMT2AFNTAFNTB
SCHEMBL4035722 0.84 MEN1 (0.39) MEN1KMT2AFNTAFNTBGPR119
SCHEMBL2085708 0.83 MEN1 (0.40) MEN1KMT2AFNTAFNTBGPR119

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
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
EP-1613613-A4 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC (CA) 2009-03-25 EP 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
EP-1613613-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2006-01-11 EP disclosed
WO-2004091518-A2 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS ANORMED INC. (CA) 2004-10-28 WO 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 MEN1 4472/4885KMT2A 4082/4885FNTA 3199/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 MEN1 4609/4885KMT2A 2950/4885FNTA 2476/4885

“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.