SCHEMBL16764892

SCHEMBL16764892

CCOC(C/N=C/c1ccc(OCc2ccccc2)c(OC)c1)OCC

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.57
HPGD P15428 5/20 0.57
HTT P42858 2/20 0.57
SMN1; SMN2 Q16637 5/20 0.57
MAPT P10636 4/20 0.57
GAA P10253 1/20 0.57
NPC1 O15118 5/20 0.53
RAB9A P51151 4/20 0.53
GFER P55789 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
AMY1A P0DUB6 1/20 0.52
LMNA P02545 3/20 0.52
KMT2A Q03164 5/20 0.50
APP P05067 4/20 0.50
MEN1 O00255 3/20 0.50
POLB P06746 2/20 0.50
TP53 P04637 1/20 0.50
PAX8 Q06710 1/20 0.50
KLF5 Q13887 1/20 0.50
HIF1A Q16665 1/20 0.50

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
SCHEMBL16764895 1.00 ALDH1A1 (0.57) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL16764093 0.97 AMY1A (0.56) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL16764095 0.97 AMY1A (0.56) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL9622687 0.94 ALDH1A1 (0.57) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL5744073 0.91 ALDH1A1 (0.60) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL5744070 0.91 ALDH1A1 (0.60) ALDH1A1HPGDHTTSMN1; SMN2MAPT
SCHEMBL16764495 0.86 AMY1A (0.55) ALDH1A1SMN1; SMN2MAPTGAANPC1
SCHEMBL16764499 0.86 AMY1A (0.55) ALDH1A1SMN1; SMN2MAPTGAANPC1
SCHEMBL16764540 0.86 AMY1A (0.48) ALDH1A1SMN1; SMN2MAPTGAANPC1
SCHEMBL16764538 0.86 AMY1A (0.48) ALDH1A1SMN1; SMN2MAPTGAANPC1

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 ALDH1A1 186/4885HPGD 1716/4885HTT 3291/4885
US-20150158895-A1 SUBSTITUTED 6, 7-DIALKOXY-3-ISOQUINOLINE DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE9A, PDE10A, PDE6A ALDH1A1 186/4885HPGD 1716/4885HTT 3291/4885

“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.