SCHEMBL1304236

SCHEMBL1304236

CC(C)(C)OC(=O)NC(CCCCN)C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.49
ITGB3 P05106 8/20 0.48
ITGA2B P08514 8/20 0.48
CTSS P25774 3/20 0.47
TDP1 Q9NUW8 3/20 0.45
ATM Q13315 1/20 0.45
HDAC4 P56524 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
P2RY2 P41231 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
MAPT P10636 1/20 0.41

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
SCHEMBL23608150 1.00 CTSK (0.49) CTSKITGB3ITGA2BCTSSTDP1
SCHEMBL7150850 1.00 CTSK (0.49) CTSKITGB3ITGA2BCTSSTDP1
SCHEMBL30361337 0.98 CTSK (0.48) CTSKITGB3ITGA2BCTSSTDP1
Hydrochloric Acid SCHEMBL17309873 0.98 CTSK (0.48) CTSKITGB3ITGA2BCTSSTDP1
Hydrochloric Acid SCHEMBL8376069 0.98 CTSK (0.48) CTSKITGB3ITGA2BCTSSTDP1
Acetic Acid SCHEMBL11204426 0.96 ITGB3 (0.48) CTSKITGB3ITGA2BCTSSTDP1
SCHEMBL17603548 0.95 CTSK (0.50) CTSKITGB3ITGA2BCTSSTDP1
SCHEMBL3697925 0.95 CTSK (0.50) CTSKITGB3ITGA2BCTSSTDP1
SCHEMBL27603642 0.95 CTSK (0.50) CTSKITGB3ITGA2BCTSSTDP1
SCHEMBL17445176 0.94 CTSK (0.49) CTSKITGB3ITGA2BCTSSTDP1

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-3778597-B1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USES THEREOF SICHUAN KELUN BIOTECH BIOPHARMACEUTICAL CO LTD (CN) 2025-05-28 EP disclosed
CN-111655686-B Tetrahydroisoquinoline derivative and preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-02-09 CN disclosed
WO-2023005953-A1 DRUG LOADING MONOMOLECULAR NANO POLYMER, PRODRUG, MICELLE, DRUG DELIVERY SYSTEM, PREPARATION METHOD, AND USE 嘉兴清准医药科技有限公司 2023-02-02 WO disclosed
US-11541049-B2 Tetrahydroisoquinoline derivatives, preparation process and use thereof SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2023-01-03 US disclosed
CN-115087634-A Method for preparing N6- ((2-azidoethoxy) carbonyl) lysine 新索思股份有限公司 2022-09-20 CN disclosed
CN-112358414-B Unnatural amino acids and their use in protein site-directed modification and protein interactions 中国科学院上海药物研究所 2022-03-22 CN disclosed
WO-2021133839-A1 METHODS OF PREPARING N6-((2-AZIDOETHOXY)CARBONYL)LYSINE Synthorx, Inc. (US) 2021-07-01 WO disclosed
US-20210052576-A1 TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF SICHUAN KELUN-BIOTECH BIOPHARMACEUTICAL CO., LTD. (CN) 2021-02-25 US disclosed
EP-3778597-A1 TETRAHYDROISOQUINOLINE DERIVATIVE, PREPARATION METHOD THEREFOR AND USES THEREOF Sichuan Kelun-Biotech Biopharmaceutical Co., Ltd. (CN) 2021-02-17 EP disclosed
CN-112358414-A Unnatural amino acids and their use in protein site-directed modification and protein interactions 中国科学院上海药物研究所 2021-02-12 CN disclosed
US-8778625-B2 2-(2-hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS, INC. (US) 2014-07-15 US disclosed
US-20130157298-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYCLICS, INC. (US) 2013-06-20 US disclosed
US-8299110-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIa inhibitors PHARMACYCLICS, INC. (US) 2012-10-30 US disclosed
US-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS PHARMACYCLICS, INC. (US) 2011-11-03 US disclosed
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors PHARMACYLICS, INC. A DELAWARE CORPORATION (US) 2009-02-26 US disclosed
US-7479502-B2 2-(2-hydroxybiphenyl-3-yl)-1H-benzoimidazole-5-carboxamidine derivatives as factor VIIA inhibitors PHARMACYCLICS, INC. (US) 2009-01-20 US disclosed
US-20060205942-A1 e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke PHARMACYCLICS LLC 2006-09-14 US disclosed
EP-1569912-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2005-09-07 EP disclosed
WO-2004050637-A2 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2004-06-17 WO disclosed
EP-0632040-A1 Antibacterial imidazole derivatives Takeda Chemical Industries, Ltd. (JP) 1995-01-04 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 (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-20060205942-A1 e.g. 2-{2-[545-carbamimidoyl-1H-benzoimidazol-2-yl)-6,2'-dihydroxy-5'-sulthmoyl-biphenyl-3-yl]-acetylsmino}-succinamic; anticoagulant, anticarcinogenic, antiinflammatory agent; deep vein thrombosis, rheumatoid arthritis, stroke F7, F9, F5 CTSK 1357/4885ITGB3 1505/4885ITGA2B 230/4885
US-20110269806-A1 2-(2-HYDROXYBIPHENYL-3-YL)-1H-BENZOIMIDAZOLE-5-CARBOXAMIDINE DERIVATIVES AS FACTOR VIIA INHIBITORS F13B, HABP2, F7 CTSK 303/4885ITGB3 687/4885ITGA2B 70/4885
US-20090054432-A1 2-(2-Hydroxybiphenyl-3-yl)-1H-Benzoimidazole-5-Carboxamidine Derivatives as Factor VIIA Inhibitors F13B, HABP2, F7 CTSK 303/4885ITGB3 687/4885ITGA2B 70/4885
US-11541049-B2 Tetrahydroisoquinoline derivatives, preparation process and use thereof CYP3A4, CYP3A43, CYP11B2 CTSK 3494/4885ITGB3 3384/4885ITGA2B 4189/4885
US-20210052576-A1 TETRAHYDROISOQUINOLINE DERIVATIVES, PREPARATION PROCESS AND USE THEREOF CYP3A4, CYP3A43, CYP11B2 CTSK 3494/4885ITGB3 3384/4885ITGA2B 4189/4885

“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.