SCHEMBL11971894

SCHEMBL11971894

COc1cc2c(C)nc(OC)c(Cc3ccc4ccccc4c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 16/20 1.00
CETP P11597 1/20 0.51
RAC1 P63000 2/20 0.48
ADORA2A P29274 1/20 0.43
ADORA1 P30542 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
Hydrochloric Acid SCHEMBL11971427 0.99 PDE10A (0.97) PDE10ACETPRAC1ADORA2AADORA1
Hydrochloric Acid SCHEMBL12478557 0.92 PDE10A (0.85) PDE10ACETPRAC1
SCHEMBL11971494 0.87 PDE10A (0.76) PDE10A
SCHEMBL11971628 0.86 PDE10A (0.76) PDE10ACETPRAC1
Hydrochloric Acid SCHEMBL11971656 0.85 PDE10A (0.74) PDE10A
Hydrochloric Acid SCHEMBL11971610 0.85 PDE10A (0.74) PDE10ACETPRAC1
SCHEMBL27931465 0.80 PDE10A (0.66) PDE10ACETPADORA2AADORA1
SCHEMBL16788314 0.79 PDE10A (1.00) PDE10ACETPRAC1
Hydrochloric Acid SCHEMBL15668281 0.78 PDE10A (0.98) PDE10ACETPRAC1
SCHEMBL16788315 0.77 PDE10A (1.00) PDE10A

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 17 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
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 1/4885CETP 2284/4885RAC1 2152/4885
US-20120214837-A1 SUBSTITUTED 6,7-DIALKOXY-3-ISOQUINOLINOL DERIVATIVES AS INHIBITORS OF PHOSPHODIESTERASE 10 (PDE10A) PDE10A, PDE6A, PDE9A PDE10A 1/4885CETP 2209/4885RAC1 2235/4885

“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.