SCHEMBL1814163

SCHEMBL1814163

CC(C)(O)C(C)(C)c1cccc(Br)n1

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 1/20 0.32
▸ HTR7 P34969 2/20 0.32
▸ HTR1A P08908 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ IRAK4 Q9NWZ3 1/20 0.31
▸ CTH P32929 1/20 0.30

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
SCHEMBL906585 0.83 CTH (0.35) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL29444546 0.83 CTH (0.35) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL1041388 0.83 HTR7 (0.33) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL21296390 0.80 GABRA1 (0.34) HTR7HTR1ADRD2HTR2A
SCHEMBL5646151 0.79 GABRA1 (0.36) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL957932 0.79 SMN1; SMN2 (0.43) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL534247 0.79 HTR7 (0.35) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL2757632 0.79 HTR7 (0.35) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL29427057 0.79 HTR7 (0.35) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL20910015 0.78 CCR1 (0.43) GRM5IRAK4

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 GRM5 1337/4885HTR7 2297/4885HTR1A 1237/4885
US-20100063024-A1 Dihydropyrazolopyrimidinone Derivatives WEE1, WEE2, GRK3 GRM5 1337/4885HTR7 2297/4885HTR1A 1237/4885
US-20070254892-A1 Dihydropyrazolopyrimidinone derivatives WEE1, WEE2, GRK3 GRM5 1337/4885HTR7 2297/4885HTR1A 1237/4885
US-20140303178-A1 DIHYDROPYRAZOLOPYRIMIDINONE DERIVATIVES WEE1, WEE2, GRK3 GRM5 1337/4885HTR7 2297/4885HTR1A 1237/4885

“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.

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