SCHEMBL2432615

SCHEMBL2432615

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Cl)cc3c3conc23)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 2/20 0.44
CNR1 P21554 3/20 0.43
CNR2 P34972 1/20 0.43
MAP4K4 O95819 1/20 0.43
KIT P10721 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TLR9 Q9NR96 3/20 0.41
SLC2A1 P11166 1/20 0.40
MGLL Q99685 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
DPP4 P27487 1/20 0.40
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
STS P08842 1/20 0.39
CYP3A4 P08684 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
SCHEMBL2433426 0.86 FABP3 (0.43) MEN1KMT2AMGLLNPSR1SMN1; SMN2
SCHEMBL441089 0.83 HRH4 (0.45) GBA1CNR1CNR2MAP4K4KIT
SCHEMBL2432793 0.82 GBA1 (0.47) GBA1CNR1CNR2MAP4K4KIT
SCHEMBL16415974 0.78 GBA1 (0.47) GBA1CNR1CNR2MAP4K4KIT
SCHEMBL2434607 0.77 DPP4 (0.45) GBA1CNR1CNR2MAP4K4KIT
SCHEMBL2432326 0.77 MAP4K4 (0.45) GBA1CNR1CNR2MAP4K4KIT
SCHEMBL6108021 0.76 MEN1 (0.45) GBA1CNR1CNR2MAP4K4MEN1
SCHEMBL29784276 0.76 HTR3A (0.65) MGLL
SCHEMBL20897546 0.76 HTR3A (0.65) MGLL
SCHEMBL405126 0.76 KDM4E (0.48) KMT2ANPSR1

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 1219/4885CNR1 17/4885CNR2 19/4885

“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.