SCHEMBL2596263

SCHEMBL2596263

Clc1cc(OC2CCOCC2)ccn1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.41
PDE10A Q9Y233 2/20 0.41
LRRK2 Q5S007 11/20 0.41
GRM5 P41594 2/20 0.40
HDAC6 Q9UBN7 1/20 0.39
SYK P43405 3/20 0.38
GRM4 Q14833 1/20 0.37

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
SCHEMBL31678696 0.88 ROCK1 (0.40) LRRK2
SCHEMBL14636458 0.88 ROCK1 (0.40) LRRK2
SCHEMBL17396860 0.85 LOX (0.40) LRRK2GRM5
SCHEMBL23975906 0.83 KMO (0.40) PDE2APDE10AGRM5SYK
SCHEMBL31678745 0.83 KMO (0.40) PDE2APDE10AGRM5SYK
SCHEMBL190777 0.83 LOX (0.45) LRRK2GRM5
SCHEMBL12510759 0.81 GRM5 (0.48) PDE2APDE10ALRRK2GRM5SYK
SCHEMBL10356844 0.81 LRRK2 (0.41) PDE2APDE10ALRRK2GRM5HDAC6
SCHEMBL22583032 0.81 NOS3 (0.47) LRRK2GRM5HDAC6SYK
SCHEMBL13806585 0.81 ROCK1 (0.55)

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-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
US-20160159773-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-06-09 US disclosed
EP-3029031-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-08 EP 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
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
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 (2 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 PDE2A 10/4885PDE10A 2/4885LRRK2 364/4885
US-20160159773-A1 HETEROCYCLIC COMPOUND TYK2, SSB, UACA PDE2A 1989/4885PDE10A 2439/4885LRRK2 369/4885

“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.