SCHEMBL2082191

SCHEMBL2082191

Cc1cnc(CNC2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.48
MAPT P10636 4/20 0.45
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
SSTR4 P31391 1/20 0.44
TP53 P04637 3/20 0.44
EPHX1 P07099 1/20 0.44
NPC1 O15118 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 1/20 0.43
THRB P10828 1/20 0.43
GPR119 Q8TDV5 1/20 0.43

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
SCHEMBL2082767 0.89 SSTR4 (0.46) EPHX2MAPTALDH1A1LMNASSTR4
SCHEMBL2083709 0.83 GPR119 (0.51) MAPTALDH1A1SSTR4NPC1MAPK1
SCHEMBL2086434 0.82 SSTR4 (0.43) SSTR4
SCHEMBL2086437 0.82 SSTR4 (0.43) SSTR4
SCHEMBL13060203 0.82 GPR119 (0.45) MAPTALDH1A1LMNASSTR4TP53
SCHEMBL20135051 0.81 ALDH1A1 (0.52) EPHX2MAPTALDH1A1LMNANPC1
SCHEMBL20135077 0.78 MAPT (0.52) EPHX2MAPTLMNATP53KDM4E
SCHEMBL2793493 0.77 GPR119 (0.57) EPHX2MAPTALDH1A1TP53EPHX1
SCHEMBL20135033 0.77 PIK3CD (0.52) EPHX2ALDH1A1
SCHEMBL20135031 0.77 PIK3CD (0.52) EPHX2ALDH1A1

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 EPHX2 691/4885MAPT 4625/4885ALDH1A1 357/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 EPHX2 1230/4885MAPT 4426/4885ALDH1A1 424/4885

“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.