SCHEMBL14834396

SCHEMBL14834396

CCCN1CCC[CH][C@@H]1C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.35
KCNK3 O14649 1/20 0.35
BCHE P06276 1/20 0.34
PARP1 P09874 1/20 0.34
HTR1A P08908 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
DRD2 P14416 4/20 0.31
DRD3 P35462 4/20 0.31
DRD1 P21728 2/20 0.31
DRD4 P21917 1/20 0.31
DRD5 P21918 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL14834692 1.00 LMNA (0.35) LMNAKCNK3BCHEPARP1HTR1A
SCHEMBL14834339 0.90 SMN1; SMN2 (0.34) LMNAKCNK3BCHEPARP1HTR1A
SCHEMBL7143543 0.86 SMN1; SMN2 (0.38) SMN1; SMN2DRD2L3MBTL1
SCHEMBL3080948 0.86 SMN1; SMN2 (0.38) SMN1; SMN2DRD2L3MBTL1
SCHEMBL14834704 0.86 SMN1; SMN2 (0.38) SMN1; SMN2DRD2L3MBTL1
SCHEMBL15049918 0.84 OPRM1 (0.36) PARP1SMN1; SMN2
SCHEMBL11972105 0.84 OPRM1 (0.36) PARP1SMN1; SMN2
SCHEMBL4703205 0.81 SMN1; SMN2 (0.37) SMN1; SMN2DRD2L3MBTL1
SCHEMBL11972129 0.80 HSD11B1 (0.38)
SCHEMBL11971813 0.80 HSD11B1 (0.38)

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-2576537-B1 2-AMINO-PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2016-03-16 EP claimed
US-8642601-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2014-02-04 US claimed
EP-2576537-A1 2 -AMINO- PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK F.HOFFMANN-LA ROCHE AG (CH) 2013-04-10 EP claimed
US-20110301171-A1 Inhibitors of JNK ARZENO HUMBERTO BARTOLOME (US) 2011-12-08 US claimed
WO-2011151358-A1 2 -AMINO- PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK F. HOFFMANN-LA ROCHE AG (CH) 2011-12-08 WO claimed
EP-2576537-B1 2-AMINO-PYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF JNK HOFFMANN LA ROCHE (CH) 2016-03-16 EP disclosed
US-8642601-B2 Inhibitors of JNK ROCHE PALO ALTO LLC (US) 2014-02-04 US disclosed
US-20110301171-A1 Inhibitors of JNK ARZENO HUMBERTO BARTOLOME (US) 2011-12-08 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 (1 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-20110301171-A1 Inhibitors of JNK MAPK9, MAP3K9, MAPK1 LMNA 2430/4885KCNK3 2388/4885BCHE 3182/4885

“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.