SCHEMBL163051

SCHEMBL163051

c1ccc(C2=NCCc3ccccc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 7/20 0.55
NOS3 P29474 2/20 0.55
NOS2 P35228 1/20 0.55
MAOA P21397 1/20 0.49
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PLG P00747 1/20 0.42
PLAU P00749 1/20 0.42
PLAT P00750 1/20 0.42
KLK1 P06870 1/20 0.42
MAPK14 Q16539 2/20 0.41
MAPK9 P45984 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
LMNA P02545 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
SCHEMBL29384557 1.00 MAPK10 (0.55) MAPK10NOS3NOS2MAOAALDH1A1
Hydrochloric Acid SCHEMBL27495714 0.98 MAPK10 (0.54) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL5348300 0.89 NOS3 (0.58) MAPK10NOS3NOS2MAOAGABRA1
SCHEMBL28542282 0.85 MAPK10 (0.50) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL29498358 0.85 MAPK10 (0.55) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL13805616 0.85 NOS3 (0.49) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL11269191 0.85 MAPK10 (0.55) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL6718892 0.85 NOS3 (0.58) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL21063722 0.85 CA1 (0.52) MAPK10NOS3NOS2MAOAALDH1A1
SCHEMBL30965936 0.85 CA1 (0.52) MAPK10NOS3NOS2MAOAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116218804-A Imine reductase mutant and method for preparing (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline by reduction thereof 迪嘉药业集团股份有限公司 2023-06-06 CN claimed
CN-112142663-B Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2022-03-22 CN claimed
CN-112142663-A Synthesis method of (S) -1-phenyl-1, 2,3, 4-tetrahydroisoquinoline 中山奕安泰医药科技有限公司 2020-12-29 CN claimed
CN-109438348-A The preparation method and preparation method thereof of one kind (S) -1- phenyl -1,2,3,4- tetrahydroisoquinoline 凯瑞斯德生化(苏州)有限公司 2019-03-08 CN claimed
CN-108383785-A A kind of preparation method and application of Solifenacin derivative 浙江海洋大学 2018-08-10 CN claimed
CN-108239029-A The preparation of tetrahydroisoquinoliderivatives compound and its salt and medical usage 中国医学科学院药物研究所 2018-07-03 CN claimed
CN-103159677-B The preparation method of IQL Ji'nan Healtang Biotechnology Co., Ltd. (CN) 2016-03-16 CN claimed
CN-103159677-A 1-phenyl-1, 2, 3, 4-tetrahydroisoquinoline preparation method JINAN SHENGQUAN HEALTANG BIOLOG TECHNOLOGY CO LTD 2013-06-19 CN claimed
CN-101851200-A Synthetic method of 1-phenyl-1,2,3,4-tetrahydroisoquinoline UNIV WUHAN TECH 2010-10-06 CN claimed
JP-7072663-A None JP disclosed
CN-118146154-A Method for synergistic catalysis of selective oxidative dehydrogenation of tetrahydroisoquinoline 西安石油大学 2024-06-07 CN disclosed
US-20230406843-A1 Progranulin Modulators and Methods of Using the Same JANSSEN PHARMACEUTICA NV (BE) 2023-12-21 US disclosed
CN-114195713-B Method for synthesizing dihydroisoquinoline by catalyzing selective dehydrogenation of tetrahydroisoquinoline 广东众源药业有限公司 2023-11-17 CN disclosed
CN-116997547-A Granulin precursor modulators and methods of use thereof 阿库达医疗公司 2023-11-03 CN disclosed
JP-H0772663-A ELECTROSTATIC CHARGE IMAGE DEVELOPING TONER CANON INC 1995-03-17 JP disclosed
EP-0336228-B1 Tetrahydroisoquinolines and tetrahydrobenzazepines and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO (JP) 1994-11-09 EP disclosed
US-5059608-A Anticonvulsants, antiischemic agents FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1991-10-22 US disclosed
CN-1036758-A Bicyclic amine compound and preparation method thereof FUJISAWA PHARMACEUTICAL CO (JP) 1989-11-01 CN disclosed
EP-0336228-A1 Tetrahydroisoquinolines and tetrahydrobenzazepines and a process for the preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1989-10-11 EP disclosed
US-4321382-A 2-Amino-11b-aryl-benzo[a]quinolizines RICHARDSON-MERRELL INC. (US) 1982-03-23 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 (1 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-20230406843-A1 Progranulin Modulators and Methods of Using the Same GRN, PSEN2, PSEN1 MAPK10 2024/4885NOS3 4240/4885NOS2 4303/4885

“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.