SCHEMBL11971865

SCHEMBL11971865

CCc1nc(O)c(Cc2cccc(-c3cccc(N)c3)c2)c2cc(OC)c(OC)cc12

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.60
DHFR P00374 5/20 0.45
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
PDE4D Q08499 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
Hydrochloric Acid SCHEMBL11971501 0.99 PDE10A (0.59) PDE10ADHFRKDM4EALDH1A1MAPT
SCHEMBL11971681 0.90 PDE10A (0.58) PDE10ADHFRKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL11971426 0.89 PDE10A (0.57) PDE10ADHFRKDM4EALDH1A1MAPT
SCHEMBL11971986 0.87 PDE10A (0.60) PDE10ADHFRKDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL11971430 0.86 PDE10A (0.59) PDE10ADHFRKDM4EALDH1A1MAPT
SCHEMBL11971402 0.82 PDE10A (0.41) PDE10AKDM4EALDH1A1MAPTPDE4D
SCHEMBL11971941 0.78 PDE10A (0.60) PDE10APDE4D
Hydrochloric Acid SCHEMBL11971522 0.77 PDE10A (0.59) PDE10APDE4D
SCHEMBL11971662 0.74 PDE10A (0.65) PDE10AKDM4EALDH1A1MAPTPDE4D
SCHEMBL11971877 0.73 PDE10A (0.64) PDE10APDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2675791-B1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) ALLERGAN INC (US) 2016-02-17 EP claimed
EP-2675791-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) Allergan, Inc. (US) 2013-12-25 EP claimed
WO-2012112946-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) ALLERGAN, INC. (US) 2012-08-23 WO claimed
US-9670181-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2017-06-06 US disclosed
US-9670181-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2017-06-06 US disclosed
US-9670181-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE 10A) ALLERGAN, INC. (US) 2017-06-06 US disclosed
EP-2675791-B1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) ALLERGAN INC (US) 2016-02-17 EP disclosed
EP-2675791-B1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) ALLERGAN INC (US) 2016-02-17 EP disclosed
US-20140309253-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. 2014-10-16 US disclosed
US-20140309253-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. 2014-10-16 US disclosed
US-20140309253-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) ALLERGAN, INC. 2014-10-16 US disclosed
US-8772316-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A) ALLERGAN, INC. (US) 2014-07-08 US disclosed
US-8772316-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A) ALLERGAN, INC. (US) 2014-07-08 US disclosed
US-8772316-B2 Substituted 6,7-dialkoxy-3-isoquinolinol derivatives as inhibitors of phosphodiesterase 10 (PDE10A) ALLERGAN, INC. (US) 2014-07-08 US disclosed
EP-2675791-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) Allergan, Inc. (US) 2013-12-25 EP disclosed
WO-2012112946-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) ALLERGAN, INC. (US) 2012-08-23 WO disclosed
US-20120214837-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) EXONHIT THERAPEUTICS SA (FR) 2012-08-23 US disclosed
US-20120214837-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) EXONHIT THERAPEUTICS SA (FR) 2012-08-23 US disclosed
US-20120214837-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) EXONHIT THERAPEUTICS SA (FR) 2012-08-23 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-20140309253-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE 10A) PDE10A, PDE6A, PDE9A PDE10A 1/4885DHFR 1119/4885KDM4E 1663/4885
US-20120214837-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) PDE10A, PDE6A, PDE9A PDE10A 1/4885DHFR 1296/4885KDM4E 1675/4885

“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.