SCHEMBL16764495

SCHEMBL16764495

CCOc1ccc(/C=N/CC(OCC)OCC)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AMY1A P0DUB6 2/20 0.55
MAPT P10636 8/20 0.53
KMT2A Q03164 7/20 0.53
NPC1 O15118 5/20 0.53
RAB9A P51151 5/20 0.53
MEN1 O00255 5/20 0.53
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
TDP1 Q9NUW8 2/20 0.53
ALOX12 P18054 1/20 0.53
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 2/20 0.44
IGF1R P08069 1/20 0.44
FDPS P14324 2/20 0.43
POLB P06746 1/20 0.43
ADRB2 P07550 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL16764499 1.00 AMY1A (0.55) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL16764538 0.94 AMY1A (0.48) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL16764540 0.94 AMY1A (0.48) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL16764497 0.93 GAA (0.48) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL16764502 0.93 GAA (0.48) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL16764895 0.86 ALDH1A1 (0.57) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL16764892 0.86 ALDH1A1 (0.57) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL16764095 0.83 AMY1A (0.56) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL16764093 0.83 AMY1A (0.56) AMY1AMAPTKMT2ANPC1RAB9A
SCHEMBL2233185 0.81 ALDH1A1 (0.47) MAPTKMT2ANPC1RAB9AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9902710-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2018-02-27 US disclosed
US-9902710-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2018-02-27 US disclosed
US-9902710-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2018-02-27 US disclosed
US-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2016-09-15 US disclosed
US-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2016-09-15 US disclosed
US-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) EXONHIT THERAPEUTICS, SA (FR) 2016-09-15 US disclosed
US-9200016-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2015-12-01 US disclosed
US-9200016-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2015-12-01 US disclosed
US-9200016-B2 Substituted 6, 7-dialkoxy-3-isoquinoline derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2015-12-01 US disclosed
US-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. (US) 2015-06-11 US disclosed
US-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. (US) 2015-06-11 US disclosed
US-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. (US) 2015-06-11 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 (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-20160264549-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE9A, PDE10A, PDE6A AMY1A 895/4885MAPT 3315/4885KMT2A 2096/4885
US-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE9A, PDE10A, PDE6A AMY1A 895/4885MAPT 3315/4885KMT2A 2096/4885

“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.