SCHEMBL8367374

SCHEMBL8367374

CCNC1CCN(C(=O)OCC)CC1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.66
ATM Q13315 1/20 0.66
L3MBTL1 Q9Y468 1/20 0.66
CHRM1 P11229 1/20 0.58
DRD2 P14416 1/20 0.58
GAA P10253 1/20 0.57
KDM4E B2RXH2 4/20 0.57
CHRM2 P08172 4/20 0.56
CHRM5 P08912 4/20 0.56
CHRM3 P20309 3/20 0.56
POLB P06746 1/20 0.55
ALDH1A1 P00352 3/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
NOS2 P35228 3/20 0.52
USP2 O75604 1/20 0.52
NOS3 P29474 2/20 0.50
NOS1 P29475 1/20 0.50

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
SCHEMBL655085 0.90 THRB (0.58) THRBATML3MBTL1CHRM1DRD2
SCHEMBL655086 0.90 THRB (0.58) THRBATML3MBTL1CHRM1DRD2
SCHEMBL13123493 0.86 THRB (0.62) THRBATML3MBTL1CHRM1DRD2
SCHEMBL1487940 0.84 THRB (0.68) THRBATML3MBTL1CHRM1GAA
SCHEMBL1487944 0.84 THRB (0.68) THRBATML3MBTL1CHRM1GAA
SCHEMBL9774826 0.83 THRB (0.59) THRBATML3MBTL1CHRM1DRD2
SCHEMBL6390964 0.82 THRB (0.57) THRBATML3MBTL1CHRM1DRD2
SCHEMBL11499799 0.82 THRB (0.57) THRBATML3MBTL1CHRM1DRD2
SCHEMBL14476235 0.82 THRB (0.66) THRBATML3MBTL1GAAKDM4E
SCHEMBL1128414 0.82 THRB (0.66) THRBATML3MBTL1CHRM1GAA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7951592-B2 Compositions and methods for inducing cell dedifferentiation THE SCRIPPS RESEARCH INSTITUTE (US) 2011-05-31 US disclosed
US-7655649-B2 Cancer; N,N-dimethyl-5-phenyl-6-(4-{[4-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-1-yl]methyl}phenyl) pyridazin-3-amine;; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, enhanced pharmacokinetic properties MERCK SHARP & DOHME CORP. (US) 2010-02-02 US disclosed
US-7592177-B2 2-(4-morpholinoanilino)-6-cyclohexylamino-purine; contacting a lineage committed cell (myoblast) with cell dedifferentiates into a multipotent stem cell; for repair of damaged tissues; cardiovascular, neurodegenerative disease and aging; small molecules THE SCRIPPS RESEARCH INSTITUTE (US) 2009-09-22 US disclosed
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use OSI PHARMACEUTICALS, INC. 2009-03-26 US disclosed
US-7504407-B2 Compounds specific to adenosine A1 and A3 receptors and uses thereof OSI PHARMACEUTICALS, INC. (US) 2009-03-17 US disclosed
US-7504391-B2 Selective D1/D5 receptor antagonists for the treatment of obesity and CNS disorders SCHERING CORPORATION (US) 2009-03-17 US disclosed
US-20080280889-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof OSI PHARMACEUTICALS, INC. 2008-03-20 US disclosed
US-20070254884-A1 Compositions and Methods for Inducing Cell Dedifferentiation THE SCRIPPS RESEARCH INSTITUTE 2007-11-01 US disclosed
US-7160890-B2 Compounds specific to adenosine A3 receptor and uses thereof OSI PHARMACEUTICALS, INC. (US) 2007-01-09 US disclosed
US-6680324-B2 4-AMINO-6-PHENYL-PYRROLO(2,3-D)PYRIMIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2004-01-20 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 (4 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-20070254884-A1 Compositions and Methods for Inducing Cell Dedifferentiation PAX3, PAX2, ALPG THRB 1932/4885ATM 2966/4885L3MBTL1 936/4885
US-20090082369-A1 Pyrrolo[2,3d]pyrimidine compositions and their use ADORA3, ADORA2A, ADORA1 THRB 1072/4885ATM 2513/4885L3MBTL1 2250/4885
US-20080070936-A1 Compounds specific to adenosine A1 receptors and uses thereof ADORA1, ADORA2A, ADORA3 THRB 779/4885ATM 3674/4885L3MBTL1 2353/4885
US-20080280889-A1 Inhibitors of Akt Activity AKT2, PIK3CA, AKT1 THRB 2673/4885ATM 150/4885L3MBTL1 2944/4885

“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.