SCHEMBL7703550

SCHEMBL7703550

CNC(=O)C1CCN(c2nccnc2C2CNC2)CC1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 9/20 0.59
RXFP1 Q9HBX9 1/20 0.44
NEK2 P51955 1/20 0.42
CYP46A1 Q9Y6A2 1/20 0.41
MALT1 Q9UDY8 5/20 0.40
PRKD1 Q15139 1/20 0.39
TRPV1 Q8NER1 1/20 0.39

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 SCHEMBL9988141 0.99 PDE10A (0.58) PDE10ARXFP1NEK2CYP46A1MALT1
SCHEMBL7705838 0.83 PDE10A (0.56) PDE10ANEK2
SCHEMBL7706215 0.82 PDE10A (0.59) PDE10ANEK2CYP46A1
Hydrochloric Acid SCHEMBL9988297 0.82 PDE10A (0.55) PDE10ANEK2
Hydrochloric Acid SCHEMBL9988108 0.81 PDE10A (0.58) PDE10ANEK2CYP46A1
SCHEMBL7704913 0.78 PDE10A (0.58) PDE10A
SCHEMBL12027345 0.78 PDE10A (0.52) PDE10A
SCHEMBL12027423 0.78 PDE10A (0.52) PDE10A
SCHEMBL7706213 0.78 PDE10A (0.43) PDE10ANEK2
Hydrochloric Acid SCHEMBL9988746 0.77 PDE10A (0.51) 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 1/4885RXFP1 1976/4885NEK2 650/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885RXFP1 1976/4885NEK2 650/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885RXFP1 1976/4885NEK2 650/4885

“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.