Sugi Predict

Sugi Predict / Compounds / SCHEMBL4400866

SCHEMBL4400866

SCHEMBL4400866

CC(C)(C)OC(=O)N1CCn2cnnc2C1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ NR1H2 P55055 3/20 0.43
▸ NAMPT P43490 1/20 0.43
▸ HTT P42858 1/20 0.42
▸ ATM Q13315 1/20 0.42
▸ ESR2 Q92731 1/20 0.42
▸ DPP4 P27487 3/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ DPP8 Q6V1X1 2/20 0.41
▸ CDK1 P06493 1/20 0.41
▸ MYT1 Q01538 1/20 0.41
▸ POLB P06746 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL1497458 0.87 HTT (0.44) NR1H2HTTATMESR2ALDH1A1
SCHEMBL20097551 0.84 NAMPT (0.48) NAMPTDPP4ALDH1A1MAPTDPP8
SCHEMBL12208897 0.81 NAMPT (0.45) NAMPTDPP4DPP8CDK1MYT1
SCHEMBL25937529 0.80 SIGMAR1 (0.47) NAMPTDPP4ALDH1A1DPP8CDK1
SCHEMBL25938053 0.80 WNT3 (0.40) NAMPTDPP4DPP8CDK1MYT1
SCHEMBL25938054 0.80 WNT3 (0.40) NAMPTDPP4DPP8CDK1MYT1
SCHEMBL12332202 0.79 NAMPT (0.48) NAMPTDPP4DPP8CDK1MYT1
SCHEMBL1018629 0.77 P2RX7 (0.46) NR1H2NAMPTESR2ALDH1A1LMNA
SCHEMBL30980046 0.77 NAMPT (0.49) NAMPTDPP4DPP8CDK1MYT1
SCHEMBL22977583 0.75 DPP4 (0.49) NAMPTDPP4DPP8CDK1MYT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-122070286-A DNA polymerase theta inhibitor and application thereof 上海湃隆生物科技有限公司 2026-05-19 — — CN disclosed
WO-2025077896-A1 DNA POLYMERASE THETA INHIBITOR AND USE THEREOF 上海湃隆生物科技有限公司 2025-04-17 — — WO disclosed
CN-119504738-A Compounds as MRGPRX2 antagonists, methods of preparation and use thereof 武汉人福创新药物研发中心有限公司 2025-02-25 — — CN disclosed
CN-119390698-A Sitagliptin Synthesis method of intermediate 同济大学 2025-02-07 — — CN disclosed
CN-118103369-A Pyridolactam derivatives, preparation method and application thereof 浙江海正药业股份有限公司 2024-05-28 — — CN disclosed
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2019-05-28 — — US disclosed
EP-3150599-B1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO LTD (JP) 2018-10-24 — — EP disclosed
US-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-06-14 — — US disclosed
US-9889136-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2018-02-13 — — US disclosed
US-9662333-B2 Tetrahydropyridopyrimidine compound or salt thereof TAIHO PHARMACEUTICAL CO., LTD. (JP) 2017-05-30 — — US disclosed
US-8263598-B2 Substituted sulfonamide compounds GRUENENTHAL GMBH (DE) 2012-09-11 — — US disclosed
WO-2012069852-A1 PHARMACEUTICAL COMPOUNDS AS INHIBITORS OF SPHINGOSINE KINASE ALMAC DISCOVERY LIMITED (GB) 2012-05-31 — — WO disclosed
US-8178535-B2 Substituted sulfonamide compounds having bradykinin 1 receptor activity and use thereof as medicaments GRUENENTHAL GMBH (DE) 2012-05-15 — — US disclosed
US-20090203672-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-08-13 — — US disclosed
WO-2009090055-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-07-23 — — WO disclosed
US-20090186899-A1 Substituted Sulfonamide Compounds GRUENENTHAL GMBH (DE) 2009-07-23 — — US disclosed
EP-1583534-A4 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO INC (US) 2007-08-29 — — EP disclosed
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes MERCK & CO., INC. 2006-03-09 — — US disclosed
EP-1583534-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES Merck & Co., Inc. (US) 2005-10-12 — — EP disclosed
WO-2004058266-A1 3-AMINO-4-PHENYLBUTANOIC ACID DERIVATIVES AS DIPEPTIDYL PEPTIDASE INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK & CO., INC. (US) 2004-07-15 — — 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 (5 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-20180161331-A1 NOVEL TETRAHYDROPYRIDOPYRIMIDINE COMPOUND OR SALT THEREOF NR5A1, CYP17A1, AR NR1H2 691/4885NAMPT 104/4885HTT 3036/4885
US-20060052382-A1 3-Amino-4-phenylbutanoic acid derivatives as dipeptidyl peptidase inhibitors for the treatment or prevention of diabetes DPP4, DPP3, DPP7 NR1H2 3748/4885NAMPT 2200/4885HTT 3264/4885
US-10300067-B2 Tetrahydropyridopyrimidine compound or salt thereof NR5A1, CYP17A1, DPYD NR1H2 915/4885NAMPT 73/4885HTT 1785/4885
US-20090186899-A1 Substituted Sulfonamide Compounds BDKRB1, BDKRB2, NPSR1 NR1H2 999/4885NAMPT 2318/4885HTT 3626/4885
US-20090203672-A1 Substituted Sulfonamide Compounds RPS4X, RPS4Y1, CACNA1A NR1H2 1264/4885NAMPT 2550/4885HTT 2603/4885

“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.