SCHEMBL2403449

SCHEMBL2403449

CN(C(=O)OC(C)(C)C)C1CN(c2ncc(-c3cccs3)n3nnnc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.41
PDE10A Q9Y233 1/20 0.36
ADORA2A P29274 1/20 0.34
ADORA2B P29275 1/20 0.34
GPR119 Q8TDV5 1/20 0.34
GBA1 P04062 2/20 0.33
LRRK2 Q5S007 1/20 0.33
FYN P06241 4/20 0.32
KDM4D Q6B0I6 1/20 0.32
SPR P35270 2/20 0.32
GRK5 P34947 1/20 0.32
CTSL P07711 1/20 0.31
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
HCRTR1 O43613 1/20 0.31
HCRTR2 O43614 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRG2 P18507 1/20 0.31
GABRB3 P28472 1/20 0.31
GABRA5 P31644 1/20 0.31

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
SCHEMBL2403452 0.87 FYN (0.35) LRRK2FYNGRK5HCRTR1HCRTR2
SCHEMBL2402488 0.81 AAK1 (0.38) AAK1PDE10AADORA2AADORA2BKDM4D
SCHEMBL2403233 0.80 GBA1 (0.53) GPR119GBA1
SCHEMBL2403985 0.76 HRH4 (0.47) LRRK2FYNGRK5
Hydrochloric Acid SCHEMBL14785872 0.75 HRH4 (0.46) LRRK2FYNGRK5
SCHEMBL14785798 0.75 HRH4 (0.43) LRRK2FYNGRK5HCRTR1HCRTR2
SCHEMBL2401793 0.73 ALDH1A1 (0.48) GBA1FYNGRK5KDM4EALDH1A1
SCHEMBL2405538 0.73 PDE10A (0.41) AAK1PDE10AADORA2AADORA2BKDM4D
SCHEMBL2402537 0.73 GBA1 (0.40) GBA1FYNGRK5KDM4EALDH1A1
Citric Acid SCHEMBL14785771 0.72 HRH4 (0.38) LRRK2FYNGRK5HCRTR1HCRTR2

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545058-B1 TETRAZOLO[1,5-a]PYRAZINE COMPOUNDS AS INHIBITORS OF HISTAMINE RECEPTORS KALYPSYS INC (US) 2016-08-24 EP disclosed
US-8859550-B2 Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC. (US) 2014-10-14 US disclosed
US-8859550-B2 Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC. (US) 2014-10-14 US disclosed
US-8859550-B2 Heterocyclic inhibitors of histamine receptors for the treatment of disease KALYPSYS, INC. (US) 2014-10-14 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-8569300-B2 Substituted tetrazolo[1,5-A]pyrazine inhibitors of histamine receptors for the treatment of disease KALYPSYS INC. (US) 2013-10-29 US disclosed
US-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-09-19 US disclosed
US-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-09-19 US disclosed
US-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-09-19 US disclosed
WO-2013039785-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2013-03-21 WO disclosed
EP-2545058-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE Kalypsys, Inc. (US) 2013-01-16 EP disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
US-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-29 US disclosed
WO-2011112766-A2 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-09-15 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-20110237565-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 AAK1 2334/4885PDE10A 3844/4885ADORA2A 286/4885
US-20130245001-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH2, HRH3 AAK1 1786/4885PDE10A 4101/4885ADORA2A 146/4885

“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.