SCHEMBL1035450

SCHEMBL1035450

CC(C)C(O)c1ccc(C(F)(F)F)cc1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 17/20 1.00
GAA P10253 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38

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
SCHEMBL18290851 0.87 PDE2A (0.77) PDE2A
SCHEMBL30134102 0.87 PDE2A (0.77) PDE2AGAASLC6A2SLC6A4SLC6A3
SCHEMBL18075380 0.87 PDE2A (0.77) PDE2AGAASLC6A2SLC6A4SLC6A3
SCHEMBL84521 0.82 PDE2A (0.70) PDE2A
SCHEMBL30620690 0.82 PDE2A (0.70) PDE2AGAA
SCHEMBL19771904 0.81 PDE2A (0.69) PDE2A
SCHEMBL19772098 0.81 PDE2A (0.69) PDE2A
SCHEMBL20811535 0.80 PDE2A (0.67) PDE2A
SCHEMBL22221342 0.80 PDE2A (0.67) PDE2A
SCHEMBL20811529 0.80 PDE2A (0.67) PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3285581-B1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
EP-3285581-B1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-11 EP disclosed
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 EP disclosed
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 EP disclosed
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-3291817-B1 HETEROARYL-PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2019-10-02 EP disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-05-14 US disclosed
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-03-01 US disclosed
CN-104672220-B The activator of peroxisome proliferator-activated receptor 日本化学医药株式会社 2017-09-22 CN 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
WO-2016154081-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-29 WO disclosed
WO-2016145614-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 WO disclosed
WO-2016149058-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 WO disclosed
US-8648208-B2 Activating agent for peroxisome proliferator activated receptor NIPPON CHEMIPHAR CO. LTD. (JP) 2014-02-11 US disclosed
US-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR NIPPON CHEMIPHAR CO. LTD. (JP) 2011-04-28 US disclosed
EP-2277874-A1 ACTIVATOR FOR PEROXISOME PROLIFERATOR-ACTIVATED RECEPTOR Nippon Chemiphar Co., Ltd. (JP) 2011-01-26 EP 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-20110098480-A1 ACTIVATING AGENT FOR PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR PPARA, PPARG, PPARD PDE2A 1843/4885GAA 3800/4885CYP11B1 49/4885
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D PDE2A 1/4885GAA 271/4885CYP11B1 1126/4885
US-20180057480-A1 PYRAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE5A PDE2A 1/4885GAA 339/4885CYP11B1 972/4885
US-10287269-B2 Pyrazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE5A PDE2A 1/4885GAA 339/4885CYP11B1 972/4885

“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.