SCHEMBL305457

SCHEMBL305457

N#Cc1ccc(F)cc1CBr

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
MPO P05164 1/20 0.39
TRPV4 Q9HBA0 1/20 0.38
CYP11B2 P19099 3/20 0.37
CYP11B1 P15538 2/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
AR P10275 1/20 0.36
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
DPP4 P27487 5/20 0.35
IDH1 O75874 1/20 0.34
RORC P51449 1/20 0.33

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
SCHEMBL16824552 0.91 MAOA (0.36) MAOAMAOBMPOTRPV4CYP11B2
SCHEMBL27717690 0.85 MAOA (0.39) MAOAMAOBMPOTRPV4CYP11B2
SCHEMBL534825 0.84 MAOA (0.38) MAOAMAOBTRPV4CYP11B2CYP11B1
SCHEMBL14039187 0.82 MAOA (0.42) MAOAMAOBMPOTRPV4CYP11B2
SCHEMBL19437202 0.80 MAOA (0.41) MAOAMAOBMPOTRPV4CYP11B2
SCHEMBL8236340 0.80 MAOA (0.41) MAOAMAOBMPOTRPV4CYP11B2
SCHEMBL16824548 0.80 MAOA (0.41) MAOAMAOBMPOTRPV4CYP11B2
SCHEMBL16824572 0.80 MAOA (0.41) MAOAMAOBMPOTRPV4CYP11B2
SCHEMBL22904292 0.80 MAOA (0.41) MAOAMAOBMPOTRPV4CYP11B2
SCHEMBL16962135 0.80 MAOA (0.41) MAOAMAOBMPOTRPV4CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12304917-B1 Pleuromutilin derivative containing a thiazolo[5,4-c]pyridine side chain, and a preparation method and application thereof SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-05-20 US claimed
US-12275734-B1 Pleuromutilin onium salt derivative containing a 3H-imidazo[4,5-c]pyridine side chain, and a preparation method and application thereof SHAANXI UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2025-04-15 US claimed
CN-119409595-A Synthesis method of 2-cyano-5-fluorobenzyl bromide 西安宇特邦医药科技有限公司 2025-02-11 CN claimed
CN-118546155-A Pleuromutilin derivative containing thiazolo [5,4-C ] pyridine side chain and preparation method and application thereof 西安康诺化工有限公司 2024-08-27 CN claimed
CN-118546138-A 3H-imidazo [4,5-C ] pyridine pleuromutilin onium salt derivatives, and preparation method and application thereof 西安康诺化工有限公司 2024-08-27 CN claimed
CN-118184571-A Synthesis method of trelagliptin succinate impurity compound 浙江燎原药业有限公司 2024-06-14 CN claimed
CN-117700368-A Synthesis method of pentanitrogen guanidine salt chiral phase transfer catalyst 四川大学 2024-03-15 CN claimed
CN-112939937-B Synthesis process of trelagliptin succinate 合肥工业大学 2023-09-22 CN claimed
CN-114105889-B Preparation method and application of key intermediate of DPP-IV inhibitor 山东创新药物研发有限公司 2023-06-13 CN claimed
CN-116143748-A Preparation method of trelagliptin succinate related substances 浙江燎原药业有限公司 2023-05-23 CN claimed
CN-112552281-A Synthetic process of trelagliptin succinate bulk drug 石家庄市华新药业有限责任公司 2021-03-26 CN claimed
CN-108794448-B Preparation method of trelagliptin and salt thereof 四川科伦药物研究院有限公司 2021-01-26 CN claimed
CN-111458423-A Method for analyzing and determining 2-cyano-5-fluorobenzyl bromide in trelagliptin succinate 浙江华贝药业有限责任公司 2020-07-28 CN claimed
CN-110698432-A Benzyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2020-01-17 CN claimed
CN-110590708-A Aroyl piperazine compound, preparation method thereof and application thereof in antivirus 中国医学科学院医药生物技术研究所 2019-12-20 CN claimed
CN-109331019-A A kind of preparation method of compound amber love song Ge Lieting tablet 深圳前海九华国际供应链管理有限公司 2019-02-15 CN claimed
CN-105968093-B The preparation method of amber love song Ge Lieting 郑州明泽医药科技有限公司 2018-09-28 CN claimed
CN-107337664-A One koji Ge Lieting preparation method 上海现代制药股份有限公司 2017-11-10 CN claimed
EP-3083580-A1 A PROCESS FOR PREPARATION OF TRELAGLIPTIN SUCCINATE Harman Finochem Limited (IN) 2016-10-26 EP claimed
WO-2015092805-A1 A PROCESS FOR PREPARATION OF TRELAGLIPTIN SUCCINATE HARMAN FINOCHEM LIMITED (IN) 2015-06-25 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-12275734-B1 Pleuromutilin onium salt derivative containing a 3H-imidazo[4,5-c]pyridine side chain, and a preparation method and application thereof PLEC, PML, MRPL21 MAOA 3653/4885MAOB 3718/4885MPO 2739/4885
US-12304917-B1 Pleuromutilin derivative containing a thiazolo[5,4-c]pyridine side chain, and a preparation method and application thereof PLEC, MLN, MRPL21 MAOA 2866/4885MAOB 2330/4885MPO 2030/4885

“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.