SCHEMBL18282944

SCHEMBL18282944

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.48
CES2 O00748 1/20 0.45
CES1 P23141 1/20 0.45
CNR2 P34972 1/20 0.43
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
FAAH O00519 1/20 0.41
SRD5A2 P31213 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PTPN1 P18031 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GRM8 O00222 1/20 0.40
GRM4 Q14833 1/20 0.40
LDHA P00338 1/20 0.40
LDHB P07195 1/20 0.40
ACP3 P15309 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
GPR55 Q9Y2T6 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
SCHEMBL27673058 0.84 NPC1 (0.50) HSD11B1CES2CES1CNR2ADRB1
SCHEMBL18282961 0.80 PPARG (0.44) HSD11B1CES2CES1CNR2ADRB1
SCHEMBL22728190 0.75 KDM4E (0.61) HSD11B1CES2CES1ADRB1ADRB3
SCHEMBL18291969 0.75 AOC3 (0.58) HSD11B1CES2CES1CNR2FAAH
SCHEMBL18741979 0.74 CES2 (0.44) HSD11B1CES2CES1CNR2ADRB1
SCHEMBL28540885 0.74 ASAH1 (0.46) HSD11B1CES2CES1CNR2NPC1
Hydrochloric Acid SCHEMBL18281298 0.73 AOC3 (0.56) HSD11B1CES2CES1CNR2FAAH
SCHEMBL15110622 0.73 FFAR1 (0.55) SRD5A2PTPN1
SCHEMBL28333319 0.73 FAAH (0.54) HSD11B1CNR2FAAHACP3
SCHEMBL2762774 0.73 HSD11B1 (0.46) HSD11B1CES2CES1CNR2NPC1

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 5 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
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
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

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 HSD11B1 591/4885CES2 336/4885CES1 2105/4885
US-20180134712-A1 6-ALKYL DIHYDROPYRAZOLOPYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE12, PDE2A, PDE4D HSD11B1 591/4885CES2 336/4885CES1 2105/4885

“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.