SCHEMBL2075362

SCHEMBL2075362

C=CCCC(C#N)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.34
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
GAA P10253 2/20 0.34
CYP2C9 P11712 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 3/20 0.33
USP2 O75604 2/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
TP53 P04637 1/20 0.32
THRB P10828 1/20 0.32
RAB9A P51151 1/20 0.32
MCOLN3 Q8TDD5 1/20 0.32
PLA2G2C Q5R387 1/20 0.32

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
SCHEMBL21646322 0.87 USP2 (0.43) ALDH1A1TSHRSMN1; SMN2CYP2C9LMNA
SCHEMBL28376862 0.84 MAPT (0.39) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL5330741 0.82 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL9183202 0.80 ALDH1A1 (0.39) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL20348151 0.78 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL11273438 0.77 CPB2 (0.41) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL9562158 0.77 CA2 (0.40) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL28222229 0.77 ALDH1A1 (0.37) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL2203256 0.76 L3MBTL1 (0.43) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL10920266 0.75 ALDH1A1 (0.42) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A

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-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 ALDH1A1 3765/4885TSHR 4876/4885SMN1; SMN2 1781/4885
US-20070232642-A1 2-AMINO-3,4-DIHYDRO-QUINOLINE DERIVATIVES USEFUL AS INHIBITORS OF BETA-SECRETASE (BACE) BACE2, PSEN2, BACE1 ALDH1A1 3248/4885TSHR 4880/4885SMN1; SMN2 1404/4885

“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.