SCHEMBL2403071

SCHEMBL2403071

CC(C)(C)OC(=O)N1CCN(c2ncc(-c3cccs3)n3cc(C(=O)O)nc23)CC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 4/20 0.57
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
KIT P10721 2/20 0.41
GRIA1 P42261 2/20 0.41
GPR119 Q8TDV5 2/20 0.40
PTPN11 Q06124 1/20 0.39
TLR9 Q9NR96 3/20 0.39
TLR7 Q9NYK1 2/20 0.39
ACHE P22303 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37

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
SCHEMBL2401810 0.89 GBA1 (0.51) GBA1MEN1KMT2ACKS1BSKP1
SCHEMBL2400295 0.85 GBA1 (0.55) GBA1MEN1KMT2ACKS1BSKP1
SCHEMBL2401761 0.84 GBA1 (0.54) GBA1MEN1KMT2ACKS1BSKP1
SCHEMBL2401837 0.80 GBA1 (0.49) GBA1MEN1KMT2ACKS1BSKP1
SCHEMBL2403233 0.79 GBA1 (0.53) GBA1MEN1KMT2ACKS1BSKP1
SCHEMBL2401717 0.76 KMT2A (0.45) GBA1MEN1KMT2A
SCHEMBL12337022 0.74 GRIA1 (0.40) GBA1MEN1KMT2ACKS1BSKP1
SCHEMBL2401847 0.73 GBA1 (0.57) GBA1MEN1KMT2ACKS1BSKP1
SCHEMBL2401705 0.73 GBA1 (0.56) GBA1MEN1KMT2ACKS1BSKP1
SCHEMBL2401462 0.73 CDK4 (0.47) GBA1MEN1KMT2A

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 9 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
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
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 (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 GBA1 1531/4885MEN1 1013/4885KMT2A 665/4885

“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.