SCHEMBL1306541

SCHEMBL1306541

[C]#CCCCCc1ccc2ccccc2n1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 7/20 0.44
CYSLTR2 Q9NS75 2/20 0.44
CYSLTR1 Q9Y271 2/20 0.44
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HDAC1 Q13547 1/20 0.39

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
SCHEMBL2334595 0.85 CYSLTR2 (0.52) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL6798820 0.83 CYSLTR2 (0.53) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL6835106 0.80 PDE10A (0.62) PDE10ACYP1A2CYP2C9
SCHEMBL2913941 0.79 PDE10A (0.61) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL8503996 0.79 CYSLTR1 (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL3028085 0.79 PDE10A (0.46) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL9598037 0.79 CYSLTR1 (0.46) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL8906354 0.79 PDE10A (0.47) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL9479707 0.79 PDE10A (0.46) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL4866792 0.79 HRH1 (0.49) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8053598-B2 Compounds, their preparation and use HIGH POINT PHARMACEUTICALS, LLC (US) 2011-11-08 US disclosed
EP-1745014-B1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE HIGH POINT PHARMACEUTICALS LLC (US) 2011-07-06 EP disclosed
US-20090012171-A1 Novel Compounds, Their Preparation and Use NOVO NORDISK A/S (CZ) 2009-01-08 US disclosed
EP-1745014-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2007-01-24 EP disclosed
WO-2005105736-A1 NOVEL COMPOUNDS, THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 2005-11-10 WO 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 (1 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-20090012171-A1 Novel Compounds, Their Preparation and Use PPARG, PPARD, PPARA PDE10A 506/4885CYSLTR2 572/4885CYSLTR1 767/4885

“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.