SCHEMBL2432793

SCHEMBL2432793

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Cl)cc3c3cncnc23)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP3A5 P20815 2/20 0.47
MAP4K4 O95819 1/20 0.46
CNR1 P21554 2/20 0.46
CNR2 P34972 1/20 0.46
KIT P10721 2/20 0.46
CKS1B P61024 2/20 0.43
SKP1 P63208 2/20 0.43
SKP2 Q13309 2/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR9 Q9NR96 4/20 0.41
TLR7 Q9NYK1 2/20 0.41
IDE P14735 1/20 0.41
ACHE P22303 1/20 0.40
OPRM1 P35372 1/20 0.40
OPRD1 P41143 1/20 0.40
OGFRL1 Q5TC84 1/20 0.40
NR1H2 P55055 1/20 0.40

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
SCHEMBL2431911 0.86 CSNK2A2 (0.42)
SCHEMBL2432615 0.82 GBA1 (0.44) GBA1CYP3A4CYP3A5MAP4K4CNR1
SCHEMBL441089 0.82 HRH4 (0.45) GBA1MAP4K4CNR1CNR2KIT
SCHEMBL2431385 0.81 HRH4 (0.52)
SCHEMBL16415974 0.78 GBA1 (0.47) GBA1MAP4K4CNR1CNR2KIT
SCHEMBL2436718 0.76 KDM4E (0.47) CYP3A4MEN1KMT2A
SCHEMBL2434607 0.76 DPP4 (0.45) GBA1MAP4K4CNR1CNR2KIT
SCHEMBL2432326 0.76 MAP4K4 (0.45) GBA1MAP4K4CNR1CNR2KIT
SCHEMBL17844999 0.76 KIT (0.49) GBA1CNR1CNR2KITCKS1B
SCHEMBL29784276 0.75 HTR3A (0.65)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
WO-2011112731-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-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 GBA1 1219/4885CYP3A4 2376/4885CYP3A5 2113/4885

“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.