SCHEMBL2073214

SCHEMBL2073214

O=C(CN1[CH]CNCC1)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
KMT2A Q03164 2/20 0.39
MAPT P10636 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.38
HTT P42858 2/20 0.38
NPC1 O15118 1/20 0.38
MITF O75030 1/20 0.38
MEN1 O00255 1/20 0.38
FKBP1A P62942 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
SCHEMBL6963354 0.85 BIRC2 (0.41) SMN1; SMN2GAAPOLBKDM4EKMT2A
SCHEMBL255444 0.75 HSD17B10 (0.69) ALOX15TSHRHSD17B10SMN1; SMN2GAA
SCHEMBL2073211 0.75 HSD17B10 (0.69) ALOX15TSHRHSD17B10SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL1156139 0.73 HSD17B10 (0.67) ALOX15TSHRHSD17B10SMN1; SMN2GAA
SCHEMBL13893263 0.72 HSD17B10 (0.65) ALOX15TSHRHSD17B10SMN1; SMN2GAA
SCHEMBL4912846 0.71 ALDH1A1 (0.38) SMN1; SMN2GAAPOLBKDM4EALDH1A1
SCHEMBL4817626 0.71 HSD17B10 (0.75) ALOX15TSHRHSD17B10SMN1; SMN2GAA
SCHEMBL2009889 0.70 HSD17B10 (0.61) ALOX15TSHRHSD17B10SMN1; SMN2GAA
Hydrochloric Acid SCHEMBL2008380 0.69 HSD17B10 (0.59) ALOX15TSHRHSD17B10SMN1; SMN2GAA
SCHEMBL26981196 0.68 HSD17B10 (0.91) ALOX15TSHRHSD17B10SMN1; SMN2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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 claimed
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 claimed
US-7868022-B2 2-amino-quinoline derivatives useful as inhibitors of β-secretase (BACE) JANSSEN PHARMACEUTICA NV (BE) 2011-01-11 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-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 (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-20080194624-A1 2-AMINO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, BACE1, PSEN2 ALOX15 4359/4885TSHR 4876/4885HSD17B10 2785/4885
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, PSEN2, BACE1 ALOX15 4415/4885TSHR 4880/4885HSD17B10 1990/4885

“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.