SCHEMBL2084145

SCHEMBL2084145

Cc1cccnc1CN[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 2/20 0.46
KDM1A O60341 1/20 0.45
MAOB P27338 1/20 0.45
DRD2 P14416 4/20 0.43
SSTR4 P31391 3/20 0.43
EPHX2 P34913 1/20 0.42
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK1 P23458 3/20 0.41
JAK2 O60674 2/20 0.41
AKT1 P31749 1/20 0.40
KCNA3 P22001 1/20 0.40
RET P07949 1/20 0.40
DRD3 P35462 1/20 0.40
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39

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
SCHEMBL12934900 1.00 BTK (0.46) BTKKDM1AMAOBDRD2SSTR4
SCHEMBL2084148 1.00 BTK (0.46) BTKKDM1AMAOBDRD2SSTR4
SCHEMBL2083578 0.85 CKS1B (0.48) BTKKDM1AMAOBDRD2EPHX2
SCHEMBL2083709 0.82 GPR119 (0.51) BTKSSTR4L3MBTL1
SCHEMBL2086437 0.82 SSTR4 (0.43) BTKKDM1AMAOBDRD2SSTR4
SCHEMBL2086434 0.82 SSTR4 (0.43) BTKKDM1AMAOBDRD2SSTR4
SCHEMBL1631864 0.79 ADORA2A (0.48) SSTR4L3MBTL1AKT1
SCHEMBL2084375 0.79 BTK (0.42) BTKSSTR4KMT2A
SCHEMBL2084372 0.79 BTK (0.42) BTKSSTR4KMT2A
SCHEMBL2084962 0.79 SSTR4 (0.38) BTKDRD2SSTR4AKT1

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 5 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
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-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 BTK 1273/4885KDM1A 3517/4885MAOB 4067/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 BTK 924/4885KDM1A 3012/4885MAOB 4162/4885

“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.