SCHEMBL259170

SCHEMBL259170

Cn1cc(-c2ccccc2Cl)nc1CCl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 4/20 0.50
TLR8 Q9NR97 1/20 0.47
HSD11B1 P28845 3/20 0.42
F2RL3 Q96RI0 1/20 0.42
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CHRNA7 P36544 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
IDO1 P14902 1/20 0.38
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 3/20 0.37
DPP9 Q86TI2 1/20 0.37
CYP1A2 P05177 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL259593 0.83 PDE10A (0.49) PDE10ATLR8F2RL3ADORA2AADORA1
SCHEMBL259095 0.80 PDE10A (0.54) PDE10ATLR8HSP90AA1HSP90AB1ALDH1A1
SCHEMBL259076 0.78 PDE10A (0.52) PDE10A
Hydrochloric Acid SCHEMBL16972416 0.77 PDE10A (0.51) PDE10A
SCHEMBL259105 0.73 PDE10A (0.48) PDE10ATLR8F2RL3ALDH1A1KDM4E
SCHEMBL259066 0.72 PDE10A (0.55) PDE10ATLR8F2RL3IDO1DPP4
SCHEMBL258864 0.69 PDE10A (0.49) PDE10ATLR8F2RL3ALDH1A1CYP1A2
SCHEMBL259657 0.68 PDE10A (0.54) PDE10ATLR8F2RL3IDO1KDM4E
SCHEMBL258720 0.67 PDE10A (0.49) PDE10ATLR8F2RL3ALDH1A1ADORA1
SCHEMBL259679 0.66 PDE10A (0.54) PDE10ATLR8ALDH1A1TDP1ADORA2A

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-9592230-B2 Substituted imidazoles as PDE10A inhibitors H. LUNDBECK A/S (DK) 2017-03-14 US disclosed
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors H. LUNDBECK A/S (DK) 2015-07-09 US disclosed
US-9018217-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2015-04-28 US disclosed
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2015-01-22 US disclosed
US-8865711-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2014-10-21 US disclosed
EP-2318394-B1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS LUNDBECK & CO AS H (DK) 2014-01-22 EP disclosed
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2012-05-31 US disclosed
US-8133897-B2 Phenylimidazole derivatives as PDE10A enzyme inhibitors H. LUNDBECK A/S (DK) 2012-03-13 US disclosed
WO-2012007006-A1 TRIAZOLO- AND PYRAZOLOQUINAZOLINE DERIVATIVES AS PDE10A ENZYME INHIBITOR H. LUNDBECK A/S (DK) 2012-01-19 WO disclosed
EP-2318394-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. Lundbeck A/S (DK) 2011-05-11 EP disclosed
US-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2010-01-21 US disclosed
WO-2009152825-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS H. LUNDBECK A/S (DK) 2009-12-23 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 (4 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-20100016303-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885TLR8 3743/4885HSD11B1 900/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B PDE10A 1/4885TLR8 3743/4885HSD11B1 900/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885TLR8 3743/4885HSD11B1 900/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885TLR8 3743/4885HSD11B1 900/4885

“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.