SCHEMBL29479211

SCHEMBL29479211

CC(C)N(CCCCO)c1cnc(-c2ccccc2)c(-c2ccccc2)n1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 2/20 0.70
ADORA3 P0DMS8 2/20 0.70
TBXA2R P21731 2/20 0.70
AGTR1 P30556 2/20 0.70
PTGIR P43119 2/20 0.70
PDE4D Q08499 2/20 0.70
PTGDR Q13258 2/20 0.70
DRD1 P21728 1/20 0.70
CKS1B P61024 6/20 0.61
SKP1 P63208 6/20 0.61
SKP2 Q13309 6/20 0.61
CNR1 P21554 4/20 0.61
ABCB11 O95342 1/20 0.61
HTR1A P08908 1/20 0.61
HTR2A P28223 1/20 0.61
ADRA1A P35348 1/20 0.61
OPRD1 P41143 1/20 0.61
OPRK1 P41145 1/20 0.61
HTR2B P41595 1/20 0.61
SCN5A Q14524 1/20 0.61

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
SCHEMBL2132049 1.00 NR1I2 (0.70) NR1I2ADORA3TBXA2RAGTR1PTGIR
Acetic Acid SCHEMBL29068588 0.95 NR1I2 (0.71) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL19823442 0.91 NR1I2 (0.64) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL28690593 0.89 NR1I2 (0.70) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL21496595 0.88 NR1I2 (0.68) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL19820820 0.88 NR1I2 (0.68) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL19672299 0.88 NR1I2 (0.57) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL5211665 0.87 NR1I2 (0.67) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL3697913 0.87 NR1I2 (0.70) NR1I2ADORA3TBXA2RAGTR1PTGIR
SCHEMBL14477527 0.87 NR1I2 (0.55) NR1I2ADORA3TBXA2RAGTR1PTGIR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115825304-B Method for measuring related substances in selapage bulk drug by high performance liquid chromatography 湖南方盛制药股份有限公司 2025-02-28 CN claimed
CN-119320360-A In the selapage Process for the preparation of intermediates 重庆圣华曦药业股份有限公司 2025-01-17 CN claimed
CN-116947766-A Preparation method of celecoxib intermediate 普济生物科技(台州)有限公司 2023-10-27 CN claimed
CN-109384734-B Preparation method of Selsemipa intermediate 上海科胜药物研发有限公司 2023-04-11 CN claimed
US-20260035352-A1 Inhibitors of Platelet Function and Methods for Use of the Same UNIV MICHIGAN REGENTS (US) 2026-02-05 US disclosed
CN-119528826-A Selapage impurity and preparation method thereof 北京诺康达医药科技股份有限公司 2025-02-28 CN disclosed
CN-115825304-B Method for measuring related substances in selapage bulk drug by high performance liquid chromatography 湖南方盛制药股份有限公司 2025-02-28 CN disclosed
CN-119320360-A In the selapage Process for the preparation of intermediates 重庆圣华曦药业股份有限公司 2025-01-17 CN disclosed
CN-119320360-A In the selapage Process for the preparation of intermediates 重庆圣华曦药业股份有限公司 2025-01-17 CN disclosed
CN-119143682-A Selapa (Seapa) lattice intermediates preparation method of selapage 湖北生物医药产业技术研究院有限公司 2024-12-17 CN disclosed
WO-2024195446-A1 METHOD FOR PRODUCING 4-[N-(5,6-DIPHENYLPYRAZIN-2-YL)-N-ISOPROPYLAMINO]-1-BUTANOL CRYSTAL 株式会社トクヤマ 2024-09-26 WO disclosed
WO-2024195447-A1 METHOD FOR PRODUCING 4-[N-(5,6-DIPHENYLPYRAZIN-2-YL)-N-ISOPROPYLAMINO]-1-BUTANOL 株式会社トクヤマ 2024-09-26 WO disclosed
CN-118146165-A 2,3, 5-Trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-06-07 CN disclosed
CN-114213343-B Preparation and purification methods of celecoxib intermediate 江苏豪森药业集团有限公司 2024-04-16 CN disclosed
CN-113968824-B 2,3, 5-trisubstituted pyrazine compound and preparation method and application thereof 郑州大学 2024-01-19 CN disclosed
CN-116947766-A Preparation method of celecoxib intermediate 普济生物科技(台州)有限公司 2023-10-27 CN disclosed
CN-109384734-B Preparation method of Selsemipa intermediate 上海科胜药物研发有限公司 2023-04-11 CN disclosed
CN-115825304-A Method for measuring related substances in selepatag bulk drug by high performance liquid chromatography 湖南方盛制药股份有限公司 2023-03-21 CN disclosed
CN-114213343-A Preparation and purification method of celecoxib intermediate 江苏豪森药业集团有限公司 2022-03-22 CN disclosed
CN-114213343-A Preparation and purification method of celecoxib intermediate 江苏豪森药业集团有限公司 2022-03-22 CN 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-20260035352-A1 Inhibitors of Platelet Function and Methods for Use of the Same TFPI, MPL, PF4 NR1I2 4716/4885ADORA3 1804/4885TBXA2R 91/4885

“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.