SCHEMBL1813178

SCHEMBL1813178

CCN1CC(Oc2cc[c]cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 8/20 0.46
NAAA Q02083 1/20 0.35
SLC6A4 P31645 2/20 0.34
ESR1 P03372 2/20 0.34
CYP3A4 P08684 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL1283269 0.84 CYP3A4 (0.48) HRH3ESR1CYP3A4CYP1A2CYP2D6
SCHEMBL5657345 0.83 HRH3 (0.68) HRH3
SCHEMBL20012540 0.81 CARM1 (0.47) HRH3NAAASLC6A4CYP3A4CYP1A2
SCHEMBL6309381 0.80 HRH3 (0.47) HRH3NAAASLC6A4ESR1CYP3A4
SCHEMBL20158437 0.79 HRH3 (0.72) HRH3NAAA
SCHEMBL1813369 0.79 ESR1 (0.34) HRH3NAAAESR1
SCHEMBL20205993 0.79 SLC6A4 (0.49) HRH3SLC6A4ESR1
SCHEMBL14612865 0.79 HRH3 (0.46) HRH3SLC6A4
SCHEMBL1812729 0.76 SLC6A4 (0.36) HRH3SLC6A4CYP3A4CYP1A2CYP2D6
SCHEMBL1811447 0.75 HRH3 (0.45) HRH3

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-2376493-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVE MSD K.K. (JP) 2011-10-19 EP disclosed
EP-2376494-A1 DIHYDROPYRIMIDOPYRIMIDINE DERIVATIVES 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 HRH3 662/4885NAAA 2513/4885SLC6A4 4599/4885
US-20110189130-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 HRH3 622/4885NAAA 3417/4885SLC6A4 4365/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 HRH3 622/4885NAAA 3417/4885SLC6A4 4365/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 HRH3 622/4885NAAA 3417/4885SLC6A4 4365/4885
US-20110243891-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVE WEE2, WEE1, RPS6KA1 HRH3 592/4885NAAA 2772/4885SLC6A4 4552/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 HRH3 622/4885NAAA 3417/4885SLC6A4 4365/4885

“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.