SCHEMBL2072472

SCHEMBL2072472

Cn1ccnc1CNCCC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.40
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
TRPM5 Q9NZQ8 2/20 0.38
OPRK1 P41145 3/20 0.38
OPRM1 P35372 2/20 0.34
HRH2 P25021 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
LPO P22079 1/20 0.33
SLC40A1 Q9NP59 1/20 0.33
HTT P42858 1/20 0.32
PDE7B Q9NP56 1/20 0.30
TSHR P16473 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30

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
SCHEMBL14274043 0.86 OPRK1 (0.43) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL13212571 0.83 FDPS (0.41) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL1797127 0.82 OPRK1 (0.45) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL1968884 0.79 OPRK1 (0.40) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL9184221 0.78 OPRK1 (0.39) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL13661117 0.77 OPRK1 (0.42) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL13212926 0.77 FDPS (0.45) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL12384311 0.77 FDPS (0.45) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL29990925 0.74 KMT2A (0.38) FDPSMEN1KMT2ATRPM5OPRK1
SCHEMBL21025017 0.74 FNTA (0.44) FDPSMEN1KMT2ATRPM5OPRK1

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
EP-2240472-B1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2012-11-21 EP disclosed
US-7868022-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 US disclosed
EP-2240472-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF -SECRETASE (BACE) Janssen Pharmaceutica NV (BE) 2010-10-20 EP disclosed
US-7786116-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2010-08-31 US disclosed
US-7776882-B2 2-amino-3,4-dihydro-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2010-08-17 US disclosed
US-20090227581-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2009-09-10 US disclosed
WO-2009097401-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2009-08-06 WO disclosed
US-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2008-08-14 US disclosed
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) JANSSEN PHARMACEUTICA NV (BE) 2007-10-04 US disclosed
WO-2007092846-A2 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 WO disclosed
WO-2007092854-A2 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF β-SECRETASE (BACE) JANSSEN PHARMACEUTICA N.V. (BE) 2007-08-16 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 (3 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-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 FDPS 3101/4885MEN1 992/4885KMT2A 462/4885
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, PSEN2, BACE1 FDPS 1615/4885MEN1 1270/4885KMT2A 684/4885
US-20090227581-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 FDPS 3751/4885MEN1 1029/4885KMT2A 530/4885

“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.