SCHEMBL18282923

SCHEMBL18282923

CC1(C(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CES2 O00748 2/20 0.53
CES1 P23141 2/20 0.53
SRD5A2 P31213 1/20 0.47
BACE1 P56817 1/20 0.46
NR4A1 P22736 1/20 0.46
NR4A2 P43354 1/20 0.46
NR4A3 Q92570 1/20 0.46
GSK3B P49841 2/20 0.46
PTPN1 P18031 2/20 0.46
MEN1 O00255 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
TRPV1 Q8NER1 1/20 0.44
MMP2 P08253 1/20 0.43
MMP8 P22894 1/20 0.43
HTT P42858 1/20 0.43

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
SCHEMBL30471972 0.80 MEN1 (0.45) CES2CES1SRD5A2BACE1NR4A1
SCHEMBL4244426 0.79 MAPT (0.53) MEN1HPGDTSHRKMT2A
SCHEMBL9178437 0.76 TP53 (0.52) SRD5A2TSHR
SCHEMBL13753623 0.75 KDM4E (0.51) CES2CES1KMT2ATRPV1HTT
SCHEMBL26081056 0.75 CES2 (0.50) CES2CES1SRD5A2NR4A1NR4A2
SCHEMBL25206278 0.75 MAPT (0.49) MEN1HPGDTSHRKMT2A
SCHEMBL18282851 0.75 KIF11 (0.51)
SCHEMBL9178767 0.75 PARP10 (0.50) TSHRKMT2A
SCHEMBL9628068 0.75 CES2 (0.48) CES2CES1SRD5A2GSK3BHPGD
SCHEMBL27354161 0.75 MAPT (0.50) CES2CES1GSK3BMEN1HPGD

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
EP-3302486-B1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2020-09-30 EP disclosed
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-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 US disclosed
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-01-08 US disclosed
US-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2018-12-25 US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 US disclosed
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-31 US disclosed
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-17 US disclosed
EP-3302486-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-04-11 EP 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-2016191935-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016192083-A1 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-2016196417-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016196417-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-12-08 WO disclosed
WO-2016192083-A1 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 (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-10160762-B2 6-alkyl dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D CES2 336/4885CES1 2105/4885SRD5A2 554/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D CES2 336/4885CES1 2105/4885SRD5A2 554/4885
US-20180148453-A1 DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D CES2 275/4885CES1 2223/4885SRD5A2 574/4885
US-10174037-B2 Dihydropyrazolopyrimidinone compounds as PDE2 inhibitors PDE12, PDE2A, PDE4D CES2 275/4885CES1 2223/4885SRD5A2 574/4885

“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.