SCHEMBL1810233

SCHEMBL1810233

CC(C)(O)Cc1cccc(Br)n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.36
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
MBOAT4 Q96T53 1/20 0.35
HTR7 P34969 2/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
GRM5 P41594 1/20 0.34
FAAH O00519 1/20 0.34
PARP1 P09874 1/20 0.33
MEN1 O00255 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL7605687 0.86 NPSR1 (0.41) MAOBMEN1OPRM1OPRD1KMT2A
SCHEMBL28658144 0.80 CCR1 (0.38) MEN1OPRM1OPRD1KMT2ANPSR1
SCHEMBL17721216 0.79 NPSR1 (0.39) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL27842147 0.78 MEN1 (0.49) KDM1AMAOAMAOBMBOAT4GRM5
SCHEMBL15064924 0.78 TRPV3 (0.41) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL1247884 0.78 KCNH2 (0.38) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL3512999 0.78 POLB (0.35) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL12491486 0.77 KDM1A (0.39) KDM1AMAOAMAOBMBOAT4HTR7
SCHEMBL3508695 0.75 KMT2A (0.34) KDM1AMAOAMAOBALDH1A1HPGD
SCHEMBL3508264 0.75 HTR7 (0.35) KDM1AMAOAMAOBALDH1A1HPGD

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 13 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
EP-2016080-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2010-07-28 EP disclosed
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives MERCK SHARP & DOHME LLC 2010-03-11 US disclosed
EP-2016080-A4 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2009-05-13 EP disclosed
EP-2016080-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
EP-2017278-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2009-01-21 EP disclosed
WO-2007126122-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-11-08 WO 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 KDM1A 813/4885MAOA 2170/4885MAOB 2201/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 KDM1A 813/4885MAOA 2170/4885MAOB 2201/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 KDM1A 813/4885MAOA 2170/4885MAOB 2201/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 KDM1A 813/4885MAOA 2170/4885MAOB 2201/4885

“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.