SCHEMBL757756

SCHEMBL757756

CC1CC(=O)C=CN1C(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.53
PSEN1 P49768 1/20 0.48
PSEN2 P49810 1/20 0.48
APH1B Q8WW43 1/20 0.48
NCSTN Q92542 1/20 0.48
APH1A Q96BI3 1/20 0.48
PSENEN Q9NZ42 1/20 0.48
SMN1; SMN2 Q16637 3/20 0.46
CYP2C19 P33261 1/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
MITF O75030 1/20 0.45
MAPT P10636 1/20 0.45
HTT P42858 1/20 0.45
PDK1 Q15118 1/20 0.44
PDK2 Q15119 1/20 0.44
PDK3 Q15120 1/20 0.44
PDK4 Q16654 1/20 0.44
CACNA1G O43497 1/20 0.44
CACNA1H O95180 1/20 0.44

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
SCHEMBL8658861 1.00 HTR2C (0.53) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL21326091 0.85 PSEN1 (0.46) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL3076603 0.85 PSEN1 (0.46) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL13634009 0.84 PSEN1 (0.46) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL20449200 0.83 P2RX7 (0.49) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL3950322 0.83 PSEN1 (0.53) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL3159251 0.83 P2RX7 (0.49) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL9734306 0.83 HTT (0.56) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL4152795 0.81 ELANE (0.46) HTR2CPSEN1PSEN2APH1BNCSTN
SCHEMBL3159372 0.81 PSEN1 (0.43) HTR2CPSEN1PSEN2APH1BNCSTN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12319686-B2 Process for the preparation of tetrahydropyridopyrimidines HOFFMANN-LA ROCHE INC. (US) 2025-06-03 US disclosed
CN-110088104-B Tetrahydropyridopyrimidine compounds for the treatment and prevention of hepatitis B virus infection 豪夫迈·罗氏有限公司 2022-04-12 CN disclosed
US-20220098189-A1 PROCESS FOR THE PREPARATION OF TETRAHYDROPYRIDOPYRIMIDINES HOFFMANN-LA ROCHE INC. (US) 2022-03-31 US disclosed
EP-3911649-A1 A PROCESS FOR THE PREPARATION OF TETRAHYDROPYRIDOPYRIMIDINES F. Hoffmann-La Roche AG (CH) 2021-11-24 EP disclosed
CN-109311880-B Novel tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infections 豪夫迈·罗氏有限公司 2021-09-03 CN disclosed
CN-113302192-A Process for preparing tetrahydropyridopyrimidines 豪夫迈·罗氏有限公司 2021-08-24 CN disclosed
US-10968218-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2021-04-06 US disclosed
US-10968218-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection HOFFMANN-LA ROCHE INC. (US) 2021-04-06 US disclosed
EP-3535261-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
EP-3535261-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION HOFFMANN LA ROCHE (CH) 2020-08-05 EP disclosed
US-8211904-B2 Spiropiperidine beta-secretase inhibitors for the treatment of alzheimer's disease Merck, Sharp & Dohme Corp. (US) 2012-07-03 US disclosed
WO-2012068096-A2 BENZOXAZEPINES AS INHIBITORS OF PI3K/MTOR AND METHODS OF THEIR USE AND MANUFACTURE EXELIXIS, INC. (US) 2012-05-24 WO disclosed
EP-2432779-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES Exelixis, Inc. (US) 2012-03-28 EP disclosed
EP-1910364-B1 SPIROPIPERIDINE BETA-SECRETASE INHIBITORS FOR THE TREATMENT OF ALZHEIMER'S DISEASE MERCK SHARP & DOHME (US) 2012-03-21 EP disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture EXELIXIS, INC. (US) 2010-11-25 US disclosed
WO-2010135524-A1 BENZOXAZEPINES BASED P13K/MT0R INHIBITORS AGAINST PROLIFERATIVE DISEASES EXELIXIS, INC. (US) 2010-11-25 WO disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease MERCK SHARP & DOHME LLC 2007-01-25 US disclosed
US-5756508-A Muscarine antagonists MERCK & CO., INC. (US) 1998-05-26 US 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-20100298290-A1 Benzoxazepines as Inhibitors of PI3K/mTOR and Methods of Their Use and Manufacture MTOR, RICTOR, PIK3CA HTR2C 565/4885PSEN1 346/4885PSEN2 354/4885
US-20070021454-A1 Spiropiperidine beta-secretase inhibitors for the treatment of Alzheimer's disease BACE1, APP, PSEN1 HTR2C 2501/4885PSEN1 3/4885PSEN2 5/4885
US-20220098189-A1 PROCESS FOR THE PREPARATION OF TETRAHYDROPYRIDOPYRIMIDINES TPMT, DPYD, DHPS HTR2C 4375/4885PSEN1 777/4885PSEN2 1015/4885
US-12319686-B2 Process for the preparation of tetrahydropyridopyrimidines TPMT, DPYD, DHPS HTR2C 4375/4885PSEN1 777/4885PSEN2 1015/4885
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 HTR2C 4598/4885PSEN1 286/4885PSEN2 417/4885
US-10968218-B2 Tetrahydropyridopyrimidines for the treatment and prophylaxis of hepatitis B virus infection DPYD, TPMT, TYMP HTR2C 3249/4885PSEN1 1152/4885PSEN2 1181/4885

“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.