SCHEMBL2595696

SCHEMBL2595696

CC(C)(C)OC(=O)N1CC(c2ncccc2Br)C1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
PDE10A Q9Y233 4/20 0.47
GPR119 Q8TDV5 4/20 0.46
KDM4E B2RXH2 1/20 0.41
DTYMK P23919 1/20 0.41
NAMPT P43490 1/20 0.40
RORC P51449 3/20 0.40
HPGDS O60760 1/20 0.40
GRM5 P41594 1/20 0.40
FNTA P49354 1/20 0.40
FNTB P49356 1/20 0.40

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
SCHEMBL7698320 0.88 GPR119 (0.56) POLBGPR119KDM4EHPGDSFNTA
SCHEMBL25308218 0.86 POLB (0.48) POLBPDE10AGPR119KDM4EDTYMK
SCHEMBL31654621 0.85 POLB (0.47) POLBPDE10AGPR119KDM4EDTYMK
SCHEMBL25889533 0.85 POLB (0.47) POLBPDE10AGPR119KDM4EDTYMK
SCHEMBL15907029 0.83 KCNK3 (0.44) POLBPDE10AGPR119RORCHPGDS
SCHEMBL2595638 0.81 PDE10A (0.53) POLBPDE10AGPR119HPGDS
SCHEMBL31441685 0.80 POLB (0.46) POLBGPR119
SCHEMBL2992043 0.79 GPR119 (0.53) POLBPDE10AGPR119KDM4ENAMPT
SCHEMBL2590271 0.79 PDE10A (0.46) PDE10AKDM4E
SCHEMBL31441769 0.79 POLB (0.47) POLBGPR119DTYMKNAMPT

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-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-9718803-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. (US) 2017-08-01 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2016-04-14 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-8957073-B2 Unsaturated nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC. 2015-02-17 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
US-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2014-07-31 US disclosed
CN-103221404-A Nitrogen heterocyclic compounds useful as PDE10 inhibitors AMGEN INC 2013-07-24 CN disclosed
EP-2569300-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS Amgen Inc. (US) 2013-03-20 EP disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. 2011-12-15 US disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed
WO-2011143365-A1 NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 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 (3 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-20140213572-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A POLB 1178/4885PDE10A 1/4885GPR119 6/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A POLB 1178/4885PDE10A 1/4885GPR119 6/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A POLB 1178/4885PDE10A 1/4885GPR119 6/4885

“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.