SCHEMBL2589976

SCHEMBL2589976

Cc1ccccc1-c1nccnc1N1CC(c2nc3cc(Cl)ccc3[nH]2)C1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.46
GLA P06280 1/20 0.40
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GAA P10253 1/20 0.38
HRH4 Q9H3N8 1/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
ALDH1A1 P00352 1/20 0.36
NPY5R Q15761 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
SCHEMBL2596265 0.90 PDE10A (0.48) PDE10AGLACNR1CNR2GAA
SCHEMBL2596277 0.88 GLA (0.49) PDE10AGLAALDH1A1
SCHEMBL2593454 0.86 PDE10A (0.47) PDE10AGLAGAAHCRTR1HCRTR2
SCHEMBL2593440 0.86 PDE10A (0.49) PDE10AGLAGAAHRH4
SCHEMBL2593448 0.85 PDE10A (0.46) PDE10AGLAGAAHRH4ALDH1A1
SCHEMBL2596257 0.84 PDE10A (0.49) PDE10AGLAGAAHRH4
SCHEMBL12026830 0.83 HRH4 (0.42) PDE10AGLACNR1CNR2GAA
SCHEMBL2593456 0.83 PDE10A (0.47) PDE10AGLAGAA
SCHEMBL2596049 0.83 PDE10A (0.48) PDE10AGLAGAAHRH4
SCHEMBL2589986 0.82 PDE10A (0.58) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US claimed
EP-2569299-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP claimed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US claimed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO claimed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
US-8946230-B2 Aryl- and heteroaryl- nitrogen-heterocyclic compounds as PDE10 inhibitors AMGEN INC. (US) 2015-02-03 US disclosed
EP-2569299-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143129-A1 NITROGEN- HETEROCYCLIC COMPOUNDS AS PHOSPHODIESTERASE 10 INHIBITORS AMGEN INC. (US) 2011-11-17 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-20110306590-A1 ARYL- AND HETEROARYL- NITROGEN-HETEROCYCLIC COMPOUNDS AS PDE10 INHIBITORS HDAC10, PDE10A, PDE9A PDE10A 2/4885GLA 1689/4885CNR1 1817/4885

“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.