SCHEMBL1813682

SCHEMBL1813682

CN(C)C(=O)CN1CCC(c2ccc(N)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TLR9 Q9NR96 9/20 0.47
TLR8 Q9NR97 9/20 0.47
TLR7 Q9NYK1 9/20 0.47
JAK2 O60674 5/20 0.45
JAK3 P52333 5/20 0.45
PTK2 Q05397 5/20 0.45
SLC18A3 Q16572 1/20 0.43
DRD2 P14416 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HDAC1 Q13547 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
SCHEMBL15649969 0.84 SLC18A3 (0.47) SLC18A3DRD2DRD4DRD3HDAC1
SCHEMBL519477 0.82 SLC18A3 (0.48) TLR9TLR8TLR7JAK2PTK2
SCHEMBL15652766 0.82 SLC18A3 (0.48) TLR9TLR8TLR7JAK2SLC18A3
SCHEMBL24596935 0.81 HRH3 (0.54) MEN1KMT2A
SCHEMBL27724565 0.80 SLC18A3 (0.49) SLC18A3DRD2DRD4DRD3
SCHEMBL520850 0.80 MEN1 (0.50) MEN1KMT2ATLR9TLR8TLR7
SCHEMBL23551305 0.77 DRD4 (0.41) SLC18A3DRD2DRD4DRD3
SCHEMBL1813872 0.77 MAPT (0.57) MEN1KMT2A
SCHEMBL27892984 0.76 SLC18A3 (0.44) KMT2ASLC18A3DRD2DRD3
SCHEMBL13723874 0.75 SIGMAR1 (0.52) KMT2ASLC18A3DRD2HDAC1

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-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD KK (JP) 2014-10-09 US disclosed
US-8791125-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2014-07-29 US disclosed
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES SAGARA TAKESHI 2011-08-04 US disclosed
US-7935708-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2011-05-03 US disclosed
US-7834019-B2 Substituted pyrazolo[3,4-d]pyrimidinone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2010-11-16 US disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2007-11-01 US 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 (4 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-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 MEN1 2199/4885KMT2A 1433/4885TLR9 3633/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 MEN1 2199/4885KMT2A 1433/4885TLR9 3633/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 MEN1 2199/4885KMT2A 1433/4885TLR9 3633/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 MEN1 2199/4885KMT2A 1433/4885TLR9 3633/4885

“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.