SCHEMBL4397401

SCHEMBL4397401

CCOc1cc2c(N3CCc4cc(OC)c(OC)cc4C3)ncnc2cc1OC

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.59
BACE1 P56817 6/20 0.59
PDE10A Q9Y233 2/20 0.55
MAPK1 P28482 1/20 0.53
PDE3B Q13370 1/20 0.53
PDE3A Q14432 1/20 0.53
ENPP1 P22413 2/20 0.52
EGFR P00533 2/20 0.52
HTR7 P34969 1/20 0.52
PDGFRB P09619 2/20 0.52
PDE4D Q08499 2/20 0.51
KDM1A O60341 1/20 0.51
CSF1R P07333 1/20 0.51

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
SCHEMBL4761451 0.93 ACHE (0.67) ACHEBACE1PDE10APDE3BPDE3A
Hydrochloric Acid SCHEMBL4760523 0.92 ACHE (0.66) ACHEBACE1PDE10APDE3BPDE3A
SCHEMBL4399140 0.90 HTR7 (0.64) ACHEBACE1PDE10APDE3BPDE3A
SCHEMBL4762801 0.86 ACHE (0.62) ACHEBACE1PDE10APDE3BPDE3A
SCHEMBL4405043 0.84 ACHE (0.52) ACHEBACE1PDE10AMAPK1PDE3B
SCHEMBL14407961 0.82 HTR7 (0.68) ACHEBACE1PDE10APDE3AEGFR
SCHEMBL4406170 0.81 ACHE (0.58) ACHEBACE1PDE10APDE3BPDE3A
SCHEMBL4761903 0.81 ACHE (0.55) ACHEBACE1PDE10APDE3BPDE3A
SCHEMBL4760279 0.81 ACHE (0.55) ACHEBACE1PDE10APDE3BPDE3A
SCHEMBL4718402 0.81 ACHE (0.55) ACHEBACE1PDE10AMAPK1ENPP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940819-A1 PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-07-09 EP claimed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US claimed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO claimed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP claimed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO claimed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 US claimed
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PFIZER INC. 2009-06-25 US disclosed
EP-1940819-A1 PHOSPHODIESTERASE 10 INHIBITORS Memory Pharmaceuticals Corporation (US) 2008-07-09 EP disclosed
US-7268142-B2 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC. (US) 2007-09-11 US disclosed
US-20070093515-A1 Phosphodiesterase 10 inhibitors AMGEN INC. 2007-04-26 US disclosed
EP-1755611-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS Pfizer Products Inc. (US) 2007-02-28 EP disclosed
WO-2007022280-A1 PHOSPHODIESTERASE 10 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2007-02-22 WO disclosed
EP-1723134-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE Pfizer Products Incorporated (US) 2006-11-22 EP disclosed
WO-2005120514-A1 PHOSPHODIESTERASE 10 INHIBITION AS TREATMENT FOR OBESITY-RELATED AND METABOLIC SYNDROME-RELATED CONDITIONS PFIZER PRODUCTS INC. (US) 2005-12-22 WO disclosed
WO-2005082883-A2 TETRAHYDROISOQUINOLINYL DERIVATIVES OF QUINAZOLINE AND ISOQUINOLINE PFIZER PRODUCTS INC. (US) 2005-09-09 WO disclosed
US-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PFIZER INC 2005-08-18 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 (3 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-20050182079-A1 Tetrahydroisoquinolinyl derivatives of quinazoline and isoquinoline PDE5A, PDE3A, PDE3B ACHE 20/4885BACE1 570/4885PDE10A 13/4885
US-20070093515-A1 Phosphodiesterase 10 inhibitors PDE7A, PDE12, PDE10A ACHE 66/4885BACE1 707/4885PDE10A 3/4885
US-20090162286-A1 Phosphodiesterase 10 Inhibition as Treatment for Obesity-Related and Metabolic Syndrome-Related Conditions PDE5A, PDE12, PDE2A ACHE 86/4885BACE1 874/4885PDE10A 7/4885

“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.