SCHEMBL9988643

SCHEMBL9988643

CS(=O)(=O)C1CCN(c2nccnc2C2(O)CN(c3ncc4ccccc4n3)C2)CC1

nearest known ligand 0.48

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.48
HTR3A P46098 1/20 0.42
HRH4 Q9H3N8 1/20 0.42
HCRTR1 O43613 4/20 0.40
HCRTR2 O43614 4/20 0.40
EGFR P00533 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
SCHEMBL9988445 0.88 PDE10A (0.48) PDE10AHTR3AHRH4HCRTR1HCRTR2
SCHEMBL9988472 0.87 PDE10A (0.62) PDE10A
SCHEMBL9989612 0.84 PDE10A (0.66) PDE10A
SCHEMBL9988391 0.76 PDE10A (0.62) PDE10A
SCHEMBL2595726 0.73 PDE10A (0.65) PDE10A
SCHEMBL12030247 0.71 PDE10A (0.65) PDE10AHTR3AHRH4
SCHEMBL7704883 0.71 PDE10A (0.64) PDE10AHTR3AHRH4
SCHEMBL7706084 0.70 PDE10A (0.68) PDE10A
SCHEMBL7706088 0.69 PDE10A (0.67) PDE10A
SCHEMBL9989378 0.68 PDE10A (0.55) 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-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-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-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-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

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 1/4885HTR3A 983/4885HRH4 2758/4885
US-20160102075-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885HTR3A 983/4885HRH4 2758/4885
US-20110306587-A1 UNSATURATED NITROGEN HETEROCYCLIC COMPOUNDS USEFUL AS PDE10 INHIBITORS PDE10A, PDE2A, PDE3A PDE10A 1/4885HTR3A 983/4885HRH4 2758/4885

“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.