SCHEMBL2404593

SCHEMBL2404593

CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccs3)c(N)n2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN11 Q06124 2/20 0.59
GBA1 P04062 1/20 0.54
GPR119 Q8TDV5 7/20 0.48
ACHE P22303 2/20 0.46
MAP4K4 O95819 1/20 0.46
MAPT P10636 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
PBRM1 Q86U86 1/20 0.46
CKS1B P61024 2/20 0.45
SKP1 P63208 2/20 0.45
SKP2 Q13309 2/20 0.45
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43

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
SCHEMBL18163293 0.79 PTPN11 (0.65) PTPN11GPR119ACHEMAP4K4MAPT
SCHEMBL2402135 0.77 PTPN11 (0.62) PTPN11GPR119ACHEMAP4K4MAPT
SCHEMBL2246945 0.76 NPC1 (0.59) PTPN11GBA1GPR119ACHEMAPT
SCHEMBL2404780 0.76 GBA1 (0.49) PTPN11GBA1GPR119ACHEMAP4K4
SCHEMBL24507711 0.76 GPR119 (0.54) PTPN11GBA1GPR119ACHEMAP4K4
SCHEMBL2402203 0.75 GBA1 (0.49) PTPN11GBA1GPR119ACHEMAPT
SCHEMBL19015403 0.75 ACHE (0.61) PTPN11GPR119ACHEMAP4K4MAPT
SCHEMBL6235513 0.74 GBA1 (0.55) PTPN11GBA1GPR119MAP4K4MAPT
SCHEMBL2401847 0.74 GBA1 (0.57) PTPN11GBA1GPR119ACHEMAP4K4
SCHEMBL594427 0.74 GPR119 (0.60) PTPN11GPR119ACHEMAP4K4MAPT

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 5 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-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
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
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 (1 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 PTPN11 3809/4885GBA1 1531/4885GPR119 188/4885

“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.