SCHEMBL1815889

SCHEMBL1815889

[c]1ccc(N2CCN(CC3CC3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.49
DRD3 P35462 1/20 0.49
CYP17A1 P05093 1/20 0.41
CYP21A2 P08686 1/20 0.41
CYP11B1 P15538 1/20 0.41
DRD4 P21917 1/20 0.41
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TSHR P16473 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HTR2C P28335 1/20 0.38
CHRNA7 P36544 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
CASP1 P29466 1/20 0.38
CASP4 P49662 1/20 0.38
CASP5 P51878 1/20 0.38

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
SCHEMBL5210880 0.85 HRH1 (0.41) DRD2DRD3SIGMAR1
SCHEMBL11084741 0.81 DRD2 (0.67) DRD2DRD3DRD4KDM4ETSHR
SCHEMBL22848357 0.79 DRD3 (0.49) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL5725238 0.79 MAPT (0.61) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL12082219 0.79 MAPT (0.51) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL27160034 0.79 SLC6A2 (0.55) DRD2DRD3CYP17A1CYP21A2CYP11B1
SCHEMBL6429157 0.78 SIGMAR1 (0.60) DRD2DRD3KDM4ESIGMAR1
SCHEMBL5795262 0.78
Hydrochloric Acid SCHEMBL10992760 0.77 DRD4 (0.54) DRD2DRD4KDM4ESLC6A2SLC6A4
Hydrochloric Acid SCHEMBL10985548 0.77 CYP17A1 (0.52) DRD2DRD3CYP17A1CYP21A2CYP11B1

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-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE MSD K.K. 2011-10-06 US disclosed
US-20110245229-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES MSD K.K. (JP) 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 DRD2 3742/4885DRD3 2481/4885CYP17A1 2431/4885
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 DRD2 2713/4885DRD3 2236/4885CYP17A1 1568/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 DRD2 2713/4885DRD3 2236/4885CYP17A1 1568/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 DRD2 2713/4885DRD3 2236/4885CYP17A1 1568/4885
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 DRD2 2931/4885DRD3 2210/4885CYP17A1 2131/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 DRD2 2713/4885DRD3 2236/4885CYP17A1 1568/4885

“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.