SCHEMBL2083669

SCHEMBL2083669

Cc1cnc(CN(Cc2ncccc2C(C)(C)c2ccc(F)cc2)C2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
LMNA P02545 3/20 0.39
TP53 P04637 3/20 0.39
MAPT P10636 2/20 0.39
THRB P10828 1/20 0.38
GPR119 Q8TDV5 4/20 0.38
SQOR Q9Y6N5 1/20 0.37

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
SCHEMBL2084361 0.93 MEN1 (0.45) MEN1KMT2ALMNATP53MAPT
SCHEMBL2084094 0.93 MEN1 (0.42) MEN1KMT2ALMNATP53GPR119
SCHEMBL2084212 0.92 MEN1 (0.44) MEN1KMT2ALMNATP53MAPT
SCHEMBL5051530 0.91 SMO (0.36) MEN1KMT2A
SCHEMBL23428751 0.90 CXCR4 (0.36) MEN1KMT2A
SCHEMBL2084834 0.89 TRPV1 (0.38)
SCHEMBL2082435 0.87 FAAH (0.38) MEN1KMT2ALMNA
SCHEMBL2084970 0.85 MEN1 (0.44) MEN1KMT2ATP53THRBGPR119
SCHEMBL4035824 0.85 CYP3A4 (0.35)
SCHEMBL5053640 0.84 CXCR4 (0.37) MEN1KMT2A

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 4082/4885LMNA 4525/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 MEN1 4609/4885KMT2A 2950/4885LMNA 4691/4885

“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.