SCHEMBL1815582

SCHEMBL1815582

Cc1c[c]ccc1N1CCN(C2CCC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GAA P10253 2/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HTR6 P50406 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ALOX12 P18054 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
KDM2B Q8NHM5 3/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
L3MBTL3 Q96JM7 2/20 0.38
KMT2A Q03164 2/20 0.37
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL188655 0.94 GAA (0.40) SLC18A3GAAHRH3ALOX12SMN1; SMN2
SCHEMBL606331 0.88 ALDH1A1 (0.41) SLC18A3ALDH1A1GAAALOX12SMN1; SMN2
SCHEMBL282852 0.87 GAA (0.38) ALDH1A1GAAALOX12SMN1; SMN2L3MBTL1
SCHEMBL2033939 0.80 ALDH1A1 (0.46) ALDH1A1GAASMN1; SMN2L3MBTL1KMT2A
SCHEMBL14940417 0.79 ALDH1A3 (0.45) ALDH1A1GAASMN1; SMN2L3MBTL1KMT2A
SCHEMBL27749353 0.78 NCF1 (0.37) SLC18A3ALDH1A1GAADRD2DRD3
SCHEMBL188544 0.78 SLC18A3 (0.38) SLC18A3ALDH1A1SMN1; SMN2KMT2AKDM4E
SCHEMBL188362 0.77 ADRA2C (0.42) ALDH1A1GAADRD2DRD3L3MBTL1
SCHEMBL28242321 0.75 BRD1 (0.35) SLC18A3KDM4E
SCHEMBL1811703 0.75 OPRL1 (0.38) DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2017278-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2016-11-02 EP disclosed
EP-2376493-B1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD KK (JP) 2016-10-05 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-8575179-B2 Dihydropyrazolopyrimidinone derivatives MSD K.K. (JP) 2013-11-05 US disclosed
US-8507505-B2 Dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2013-08-13 US disclosed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES MSD K.K. (JP) 2011-10-19 EP disclosed
EP-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 2011-10-06 US disclosed
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 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
WO-2010067886-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO disclosed
WO-2010067888-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES BANYU PHARMACEUTICAL CO.,LTD. (JP) 2010-06-17 WO 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 (6 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-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE2, WEE1, CDKL1 SLC18A3 4864/4885ALDH1A1 871/4885GAA 3279/4885
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SLC18A3 4872/4885ALDH1A1 755/4885GAA 3719/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 SLC18A3 4872/4885ALDH1A1 755/4885GAA 3719/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 SLC18A3 4872/4885ALDH1A1 755/4885GAA 3719/4885
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 SLC18A3 4828/4885ALDH1A1 1311/4885GAA 2768/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 SLC18A3 4872/4885ALDH1A1 755/4885GAA 3719/4885

“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.