SCHEMBL92913

SCHEMBL92913

OCc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.49
DAO P14920 1/20 0.48
MRGPRX4 Q96LA9 3/20 0.44
ALDH1A1 P00352 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.42
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
FFAR4 Q5NUL3 1/20 0.41
LMNA P02545 1/20 0.40
IDO1 P14902 1/20 0.40
HTR2A P28223 2/20 0.39
SLC6A4 P31645 2/20 0.39
KCNH2 Q12809 2/20 0.39
P2RX7 Q99572 2/20 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
SCHEMBL30523915 1.00 PDE2A (0.49) PDE2ADAOMRGPRX4ALDH1A1GAA
SCHEMBL92949 0.84 PDE2A (0.44) PDE2AALDH1A1FFAR4IDO1HTR2A
SCHEMBL81697 0.82 DAO (0.50) PDE2ADAOMRGPRX4ALDH1A1GAA
SCHEMBL3211500 0.82 DAO (0.49) PDE2ADAOMRGPRX4ALDH1A1MAPT
SCHEMBL1014987 0.81 KLF10 (0.44) PDE2AALDH1A1KDM4EFFAR4IDO1
SCHEMBL31085526 0.81 KLF10 (0.44) PDE2AALDH1A1KDM4EFFAR4IDO1
SCHEMBL3208015 0.80 PDE2A (0.49) PDE2ADAOMRGPRX4ALDH1A1MAPT
SCHEMBL963581 0.80 DAO (0.48) PDE2ADAOMRGPRX4ALDH1A1MAPT
SCHEMBL15684775 0.80 DAO (0.48) PDE2ADAOMRGPRX4ALDH1A1MAPT
SCHEMBL2669965 0.80 DAO (0.51) PDE2ADAOMRGPRX4LMNAIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116555080-A Preparation method of hybrid ester compound containing oxazole ring 上海交通大学医学院附属仁济医院 2023-08-08 CN claimed
CN-116710431-A Small molecule compounds and compositions 泰洛治疗公司 2023-09-05 CN disclosed
CN-116555080-A Preparation method of hybrid ester compound containing oxazole ring 上海交通大学医学院附属仁济医院 2023-08-08 CN disclosed
EP-3270926-B1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME (US) 2021-08-04 EP disclosed
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors MERCK SHARP & DOHME CORP. (US) 2019-07-23 US disclosed
US-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-08-23 US disclosed
EP-3270926-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS Merck Sharp & Dohme Corp. (US) 2018-01-24 EP disclosed
EP-2838891-B1 AROMATIC RING COMPOUND AS GHRELIN O-ACYLTRANSFERASE INHIBITOR TAKEDA PHARMACEUTICALS CO (JP) 2017-08-02 EP disclosed
WO-2016149058-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS MERCK SHARP & DOHME CORP. (US) 2016-09-22 WO disclosed
US-9238639-B2 Aromatic ring compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-01-19 US disclosed
US-20100041892-A1 Therapeutic agent for diabetes ABE HIDENORI 2010-02-18 US disclosed
US-20090270631-A1 Therapeutic agent for diabetes ABE HIDENORI 2009-10-29 US disclosed
CN-101282725-A Therapeutic agent for diabetes TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2008-10-08 CN disclosed
EP-1912645-A2 THERAPEUTIC AGENT FOR DIABETES Takeda Pharmaceutical Company Limited (JP) 2008-04-23 EP disclosed
US-20080051418-A1 Arylalkanoic Acid Derivative TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-28 US disclosed
US-20080009530-A1 Therapeutic Agent for Diabetes TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-01-10 US disclosed
EP-1829863-A1 ARYLALKANOIC ACID DERIVATIVE Takeda Pharmaceutical Company Limited (JP) 2007-09-05 EP disclosed
WO-2007018314-A2 THERAPEUTIC AGENT FOR DIABETES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-15 WO disclosed
US-6420409-B1 GLUCOSE TOLERANCE, DIABETES,INSULIN RESISTANCE, POLYCYSTIC OVARY SYNDROME, HYPERLIPIDEMIA, ATHEROSCLEROSIS, CARDIOVASCULAR DISORDERS, HYPERGLYCEMIA, HYPERTENSION, STENOCARDIA, PULMONARY HYPERTENSION, CONGESTIVE HEART FAILURE, FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-07-16 US disclosed
EP-1020452-A1 BENZIMIDAZOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-19 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 (6 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-20090270631-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PDE2A 260/4885DAO 720/4885MRGPRX4 1727/4885
US-20180237422-A1 TRIAZOLYL PYRIMIDINONE COMPOUNDS AS PDE2 INHIBITORS PDE2A, PDE12, PDE4D PDE2A 1/4885DAO 772/4885MRGPRX4 3131/4885
US-10358435-B2 Triazolyl pyrimidinone compounds as PDE2 inhibitors PDE2A, PDE12, PDE4D PDE2A 1/4885DAO 772/4885MRGPRX4 3131/4885
US-20080051418-A1 Arylalkanoic Acid Derivative INSR, NPY1R, GPR119 PDE2A 4406/4885DAO 267/4885MRGPRX4 826/4885
US-20080009530-A1 Therapeutic Agent for Diabetes FABP4, SLC5A1, SLC5A2 PDE2A 390/4885DAO 727/4885MRGPRX4 1455/4885
US-20100041892-A1 Therapeutic agent for diabetes FABP4, SLC5A1, SLC5A2 PDE2A 260/4885DAO 720/4885MRGPRX4 1727/4885

“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.