SCHEMBL258927

SCHEMBL258927

CC(C)n1cc(-c2ccccc2)nc1CCl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 11/20 0.53
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 5/20 0.38
MAPT P10636 4/20 0.38
PKM P14618 3/20 0.38
TP53 P04637 5/20 0.37
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
HPGD P15428 3/20 0.37
TSHR P16473 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HSD17B10 Q99714 3/20 0.37
KMT2A Q03164 2/20 0.37
CDK5 Q00535 1/20 0.37
CDK5R1 Q15078 1/20 0.37
TLR8 Q9NR97 1/20 0.37
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 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
SCHEMBL27659192 0.80 PDE10A (0.50) PDE10AKDM4EALDH1A1MAPTPKM
SCHEMBL259076 0.78 PDE10A (0.52) PDE10A
Hydrochloric Acid SCHEMBL16972416 0.77 PDE10A (0.51) PDE10A
SCHEMBL259023 0.75 PDE10A (0.51) PDE10AKDM4EALDH1A1MAPTPKM
SCHEMBL17280135 0.72 PDE10A (0.48) PDE10AKDM4EALDH1A1MAPTPKM
SCHEMBL259948 0.70 PDE10A (1.00) PDE10A
SCHEMBL27943585 0.70 PDE10A (0.42) PDE10AMAPTPKMTP53NPC1
SCHEMBL259756 0.70 PDE10A (1.00) PDE10A
SCHEMBL8994051 0.67 GSK3B (0.56) KDM4EALDH1A1MAPTTP53NPC1
SCHEMBL12362428 0.66 PDE10A (0.54) 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 14 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
CN-102124002-B Novel phenylimidazole derivatives as pde10a enzyme inhibitors LUNDBECK & CO AS H 2014-06-25 CN 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
CN-102124002-A Novel phenylimidazole derivatives as pde10a enzyme inhibitors LUNDBECK & CO AS H 2011-07-13 CN 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 1/4885KDM4E 356/4885ALDH1A1 65/4885
US-20150190395-A1 Novel Phenylimidazole Derivatives as PDE10A Enzyme Inhibitors PDE10A, PDE5A, PDE3B PDE10A 1/4885KDM4E 356/4885ALDH1A1 65/4885
US-20120135987-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885KDM4E 356/4885ALDH1A1 65/4885
US-20150025081-A1 NOVEL PHENYLIMIDAZOLE DERIVATIVES AS PDE10A ENZYME INHIBITORS PDE10A, PDE5A, PDE3B PDE10A 1/4885KDM4E 356/4885ALDH1A1 65/4885

“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.