SCHEMBL18282981

SCHEMBL18282981

CC(C)(C)OC(=O)NNCC(=O)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
GSK3B P49841 1/20 0.46
PPARG P37231 1/20 0.46
PPARA Q07869 1/20 0.46
MMP1 P03956 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HDAC1 Q13547 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
MMP2 P08253 1/20 0.41
MMP8 P22894 1/20 0.41
MAOB P27338 1/20 0.41
HSD11B1 P28845 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL19655646 0.86 PTPN1 (0.49) PTPN1GSK3BPPARGPPARAMMP1
SCHEMBL2340583 0.82 ALDH1A1 (0.52) GSK3BPPARGPPARAMMP1ALDH1A1
SCHEMBL21616600 0.81 PTPN1 (0.57) PTPN1GSK3BPPARGPPARAMMP1
SCHEMBL31512899 0.81 TRPV1 (0.50) PPARGPPARAMAPTTRPV1LMNA
SCHEMBL4305734 0.81 LMNA (0.43) PPARAHDAC8LMNAPOLB
SCHEMBL7978684 0.80 GAA (0.48) PPARGPPARAHDAC1HDAC8LMNA
SCHEMBL18282694 0.79 PTPN1 (0.58) PTPN1GSK3BMMP1HDAC1HDAC8
SCHEMBL18329404 0.77 ALDH1A1 (0.59) PTPN1GSK3BPPARGPPARAMMP1
SCHEMBL24262301 0.76 ALDH1A1 (0.39) PTPN1GSK3BPPARGPPARAMMP1
SCHEMBL18282961 0.76 PPARG (0.44) PPARGPPARAMAPTLMNAPOLB

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
EP-3302484-B1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-16 EP disclosed
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-25 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
EP-3302484-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-04-11 EP disclosed
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016196071-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO 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 (2 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-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D PTPN1 1350/4885GSK3B 472/4885PPARG 1277/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D PTPN1 1350/4885GSK3B 472/4885PPARG 1277/4885

“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.