SCHEMBL2432326

SCHEMBL2432326

CC(C)(C)OC(=O)N1CCN(c2nc3ccc(Cl)cc3c(C=O)c2N)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.45
KIT P10721 2/20 0.44
GBA1 P04062 2/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
STS P08842 1/20 0.41
DPP4 P27487 1/20 0.41
TLR9 Q9NR96 2/20 0.41
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
SLC2A1 P11166 1/20 0.40
POLB P06746 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
PIK3CA P42336 2/20 0.40
PTPN11 Q06124 1/20 0.40
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 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
SCHEMBL2431306 0.86 FABP3 (0.43) SMN1; SMN2NPSR1
SCHEMBL2434607 0.85 DPP4 (0.45) MAP4K4KITGBA1MEN1KMT2A
SCHEMBL16415974 0.78 GBA1 (0.47) MAP4K4KITGBA1MEN1KMT2A
SCHEMBL441089 0.77 HRH4 (0.45) MAP4K4KITGBA1MEN1KMT2A
SCHEMBL2432615 0.77 GBA1 (0.44) MAP4K4KITGBA1MEN1KMT2A
SCHEMBL19260951 0.77 MEN1 (0.52) MAP4K4MEN1KMT2ASTSPOLB
SCHEMBL29417701 0.77 MEN1 (0.52) MAP4K4MEN1KMT2ASTSPOLB
SCHEMBL2432793 0.76 GBA1 (0.47) MAP4K4KITGBA1MEN1KMT2A
SCHEMBL29784276 0.76 HTR3A (0.65)
SCHEMBL20897546 0.76 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 MAP4K4 3147/4885KIT 219/4885GBA1 1219/4885

“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.