SCHEMBL1333149

SCHEMBL1333149

c1cc(N2CCOCC2)n2ncnc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 5/20 0.43
RCE1 Q9Y256 1/20 0.43
MAPT P10636 1/20 0.43
PIK3CA P42336 2/20 0.41
MAP4K4 O95819 1/20 0.41
RIPK1 Q13546 1/20 0.40
HPGD P15428 4/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C19 P33261 1/20 0.40
PDE2A O00408 2/20 0.39
METAP2 P50579 2/20 0.39
GAA P10253 3/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MBOAT4 Q96T53 1/20 0.37

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
SCHEMBL17204363 0.85 ALDH1A1 (0.46) ALDH1A1KDM4ERCE1MAPTRIPK1
SCHEMBL14956499 0.80 METAP2 (0.45) LMNAALDH1A1KDM4ERCE1MAPT
SCHEMBL18114887 0.78 AKT1 (0.44) PIK3CARIPK1CYP1A2CYP2C9
SCHEMBL1331960 0.75 GAA (0.45) ALDH1A1KDM4ERCE1MAPTHPGD
SCHEMBL31356896 0.73 EGLN2 (0.64) LMNAPIK3CAMAP4K4
SCHEMBL23029833 0.71 NPC1 (0.43) LMNAALDH1A1KDM4EMAPTPIK3CA
SCHEMBL1331907 0.70 PDE2A (0.40) PDE2A
SCHEMBL1333583 0.69 METAP2 (0.52) ALDH1A1KDM4EPDE2AMETAP2GAA
SCHEMBL1333582 0.69 METAP2 (0.52) ALDH1A1KDM4ERCE1HPGDPDE2A
SCHEMBL24857410 0.68 ERAP1 (0.44) LMNAALDH1A1KDM4EMAPTPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US claimed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-8546406-B2 Heterocyclic compounds as metap-2 inhibitors MERCK PATENT GMBH (DE) 2013-10-01 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
US-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2011-11-17 US disclosed
WO-2010083870-A1 NOVEL HETEROCYCLIC COMPOUNDS FOR USE AS METAP-2 INHIBITORS MERCK PATENT GMBH (DE) 2010-07-29 WO 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-20110281859-A1 NOVEL HETEROCYCLIC COMPOUNDS AS METAP-2 INHIBITORS METAP2, METAP1, XPNPEP2 LMNA 4461/4885ALDH1A1 1917/4885KDM4E 1825/4885

“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.