SCHEMBL188661

SCHEMBL188661

CN1CCN(c2cc[c]cc2CO)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.41
CHKA P35790 1/20 0.40
DRD2 P14416 4/20 0.39
DRD3 P35462 4/20 0.39
DRD4 P21917 2/20 0.39
HTR2A P28223 2/20 0.39
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.36
KDM4E B2RXH2 4/20 0.35
HTT P42858 3/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
PTK2B Q14289 1/20 0.35
ALDH1A1 P00352 3/20 0.34
POLB P06746 1/20 0.34
RAD52 P43351 1/20 0.34

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
SCHEMBL188681 0.88 NCF1 (0.39) NCF1CHKADRD2DRD3DRD4
SCHEMBL1813597 0.84 CHRNA7 (0.40) DRD2DRD3DRD4KDM4EMAPT
SCHEMBL1815170 0.81 MAPT (0.33) KDM4EMAPTALDH1A1
SCHEMBL1815473 0.81 HTR1A (0.40) NCF1DRD2DRD3DRD4HTR2A
SCHEMBL187781 0.81 AKR1C3 (0.43) NCF1KDM4EMAPTGAAALDH1A1
SCHEMBL1814332 0.80 GAA (0.36) HTR1AKDM4EGAAALDH1A1POLB
SCHEMBL188055 0.78 MAPT (0.46) MAPTGAAMAPK1ALDH1A1POLB
SCHEMBL16462498 0.77 ROCK2 (0.46) DRD2DRD3HTR2AADRA2CKDM4E
SCHEMBL3595550 0.77 DRD2 (0.55) NCF1DRD2DRD3DRD4HTR2A
SCHEMBL12368809 0.76 NCF1 (0.61) NCF1CHKADRD2DRD3DRD4

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 31 patents — showing the first 20. 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-2213673-B1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD KK (JP) 2013-06-05 EP disclosed
US-8329711-B2 Pyridone-substituted-dihydropyrazolopyrimidinone derivative MSD K.K. (JP) 2012-12-11 US disclosed
US-8288396-B2 Pyrimidopyrimidoindazole derivative MSDKK (JP) 2012-10-16 US disclosed
CN-101432284-B Dihydropyrazolopyrimidinone derivative MSD KK 2012-08-15 CN disclosed
EP-2213673-A1 PYRIDONE-SUBSTITUTED-DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-08-04 EP disclosed
EP-2016080-B1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES BANYU PHARMA CO LTD (JP) 2010-07-28 EP 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-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 (3 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-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 NCF1 2681/4885CHKA 428/4885DRD2 2713/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 NCF1 2681/4885CHKA 428/4885DRD2 2713/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 NCF1 2681/4885CHKA 428/4885DRD2 2713/4885

“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.