SCHEMBL2086434

SCHEMBL2086434

Cc1cnc(CN[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)c(C)c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SSTR4 P31391 7/20 0.43
KDM1A O60341 2/20 0.40
MAOB P27338 1/20 0.40
BTK Q06187 3/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
JAK1 P23458 2/20 0.39
PIK3CA P42336 1/20 0.39
MTOR P42345 1/20 0.39
PRKDC P78527 1/20 0.39
JAK2 O60674 1/20 0.39
DRD2 P14416 2/20 0.39
SSTR1 P30872 1/20 0.38
MERTK Q12866 1/20 0.38

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
SCHEMBL2086437 1.00 SSTR4 (0.43) SSTR4KDM1AMAOBBTKCKS1B
SCHEMBL2082191 0.82 EPHX2 (0.48) SSTR4
SCHEMBL12934900 0.82 BTK (0.46) SSTR4KDM1AMAOBBTKCKS1B
SCHEMBL2084145 0.82 BTK (0.46) SSTR4KDM1AMAOBBTKCKS1B
SCHEMBL2084148 0.82 BTK (0.46) SSTR4KDM1AMAOBBTKCKS1B
SCHEMBL2083332 0.79 ADORA2A (0.43)
SCHEMBL2086097 0.79 PDGFRB (0.42) SSTR4BTK
SCHEMBL2086098 0.79 PDGFRB (0.42) SSTR4BTK
SCHEMBL8297689 0.74 CRHR1 (0.44) SSTR4KDM1AMAOBBTKCKS1B
SCHEMBL4191377 0.74 CRHR1 (0.44) SSTR4KDM1AMAOBBTKCKS1B

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 SSTR4 4293/4885KDM1A 3517/4885MAOB 4067/4885
US-20080255197-A1 CXCR4 CHEMOKINE RECEPTOR BINDING COMPOUNDS CXCR4, CXCR1, CXCR3 SSTR4 3287/4885KDM1A 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.