SCHEMBL7705838

SCHEMBL7705838

NC(=O)C1CCN(c2nccnc2C2CNC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.56
KDM4E B2RXH2 4/20 0.50
RECQL P46063 1/20 0.50
NEK2 P51955 1/20 0.48
AKT2 P31751 1/20 0.47
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
TSHR P16473 1/20 0.40
LMNA P02545 2/20 0.40
ABL1 P00519 1/20 0.40
HSD17B10 Q99714 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
Hydrochloric Acid SCHEMBL9988297 0.99 PDE10A (0.55) PDE10AKDM4ERECQLNEK2AKT2
SCHEMBL7706213 0.86 PDE10A (0.43) PDE10AKDM4ERECQLNEK2
SCHEMBL7703550 0.83 PDE10A (0.59) PDE10ANEK2
SCHEMBL7706215 0.83 PDE10A (0.59) PDE10ANEK2
Hydrochloric Acid SCHEMBL9988108 0.82 PDE10A (0.58) PDE10ANEK2
Hydrochloric Acid SCHEMBL9988141 0.82 PDE10A (0.58) PDE10ANEK2
SCHEMBL12027345 0.81 PDE10A (0.52) PDE10ALMNA
Hydrochloric Acid SCHEMBL9988746 0.80 PDE10A (0.51) PDE10ALMNA
SCHEMBL12027423 0.79 PDE10A (0.52) PDE10ATDP1TSHRLMNA
SCHEMBL2590729 0.78 PDE10A (0.57) 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 10 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-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

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 PDE10A 1/4885KDM4E 3148/4885RECQL 2685/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885KDM4E 3148/4885RECQL 2685/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885KDM4E 3148/4885RECQL 2685/4885

“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.