SCHEMBL87178

SCHEMBL87178

NC[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 16/20 1.00
CYP1A2 P05177 2/20 0.57
CYP3A4 P08684 2/20 0.57
CYP2D6 P10635 2/20 0.57
CYP2C9 P11712 2/20 0.57
CYP2C19 P33261 2/20 0.57
ABCB11 O95342 1/20 0.57
F2 P00734 1/20 0.57
ST14 Q9Y5Y6 1/20 0.57
CYP2J2 P51589 1/20 0.52

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
SCHEMBL455793 1.00 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15203246 1.00 F10 (1.00) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL792570 0.99 F10 (0.97) F10CYP1A2CYP3A4CYP2D6CYP2C9
Hydrochloric Acid SCHEMBL792571 0.99 F10 (0.97) F10CYP1A2CYP3A4CYP2D6CYP2C9
Sulfuric Acid SCHEMBL793039 0.94 F10 (0.88) F10CYP1A2CYP3A4CYP2D6CYP2C9
Sulfuric Acid SCHEMBL793040 0.94 F10 (0.88) F10CYP1A2CYP3A4CYP2D6CYP2C9
Oxalic Acid SCHEMBL14861652 0.94 F10 (0.88) F10CYP1A2CYP3A4CYP2D6CYP2C9
Acetic Acid SCHEMBL13737134 0.93 F10 (0.86) F10CYP1A2CYP3A4CYP2D6CYP2C9
Acetic Acid SCHEMBL13736179 0.93 F10 (0.86) F10CYP1A2CYP3A4CYP2D6CYP2C9
Acetic Acid SCHEMBL13738152 0.93 F10 (0.86) F10CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118530233-A Preparation method of rivaroxaban and intermediate thereof 武汉工程大学 2024-08-23 CN claimed
CN-118050436-A Method for separating and measuring potential genotoxic impurity (imidazole) in rivaroxaban intermediate by high performance liquid chromatography-mass spectrometry 南京海辰药业股份有限公司 2024-05-17 CN claimed
CN-112110910-B Method for preparing rivaroxaban intermediate and method for preparing rivaroxaban from rivaroxaban intermediate 上海特化医药科技有限公司 2024-03-19 CN claimed
CN-115894471-A Synthetic method of rivaroxaban 南京工业大学 2023-04-04 CN claimed
CN-115825284-A Method for separating rivaroxaban intermediate and impurities thereof and detecting content of each component 重庆华邦制药有限公司 2023-03-21 CN claimed
CN-115490678-A Preparation method of high-purity rivaroxaban 浙江苏泊尔制药有限公司 2022-12-20 CN claimed
CN-115403555-A Synthetic method of rivaroxaban intermediate 5-chlorothiophene-2-carboxylic acid 上海茂晟康慧科技有限公司 2022-11-29 CN claimed
CN-111983055-B Method for separating and measuring rivaroxaban intermediate related substances by using HPLC (high performance liquid chromatography) 安徽联创生物医药股份有限公司 2022-05-31 CN claimed
CN-110551111-B Preparation method of rivaroxaban intermediate 上海海翔医药科技发展有限公司 2022-04-26 CN claimed
CN-216347362-U A vacuum drying oven for rivaroxaban midbody 上海汇伦湖北制药有限公司 2022-04-19 CN claimed
US-20130172554-A1 PROCESSES FOR THE PREPARATION OF 4-MORPHOLIN-3-ONE SYMED LABS LIMITED (IN) 2013-07-04 US claimed
WO-2013027225-A1 PROCESSES FOR THE PREPARATION OF 4-{4-[5(S)-(AMINOMETHYL)-2-OXO-1,3-OXAZOLIDIN-3-YL]PHENYL} MORPHOLIN-3-ONE SYMED LABS LIMITED (IN) 2013-02-28 WO claimed
WO-2012156983-A1 PROCESSES FOR THE PREPARATION OF 5-CHLORO-N-({(5S)-2-OXO-3-[4-(3-OXO-4-MORPHOLINYL) PHENYL]-1,3-OXAZOLIDIN-5-YL}METHYL)-2-THIOPHENECARBOXAMIDE SYMED LABS LIMITED (IN) 2012-11-22 WO claimed
WO-2012153155-A1 PROCESS FOR THE PREPARATION OF A RIVAROXABAN AND INTERMEDIATES FORMED IN SAID PROCESS EGIS GYÓGYSZERGYÁR NYILVÃNOSAN MÜKÖDÖ RÉSZVÉNY-TÁRSASÁG (HU) 2012-11-15 WO claimed
WO-2012035057-A2 PROCESS FOR DETERMINING THE SUITABILITY FOR DISTRIBUTION OF A BATCH OF A THIOPHENE-2-CARBOXAMIDE DERIVATIVE MEDICHEM S.A. (ES) 2012-03-22 WO claimed
WO-2012032533-A2 PROCESSES FOR THE PREPARATION OF 4-{4-[5(S)-(AMINOMETHYL)-2-OXO-1,3-OXAZOLIDIN-3-YL]PHENYL} MORPHOLIN-3-ONE SYMED LABS LIMITED (IN) 2012-03-15 WO claimed
EP-2388260-A1 Method for producing a blood coagulation factor inhibitor Archimica GmbH (DE) 2011-11-23 EP claimed
US-8038533-B2 Game system using parent game machine and child game machine NINTENDO CO., LTD. (JP) 2011-10-18 US claimed
US-7351823-B2 Preparation process BAYER HEALTHCARE AG (DE) 2008-04-01 US claimed
US-20050182055-A1 5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-2-thiophenecarboxamide formed by reacting 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-morpholin-3-one hydrochloride with 5-chlorothiophene-2-carbonyl chloride BAYER HEALTHCARE AG (DE) 2005-08-18 US 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-20130172554-A1 PROCESSES FOR THE PREPARATION OF 4-MORPHOLIN-3-ONE TYR, CYP1B1, AAAS F10 4199/4885CYP1A2 26/4885CYP3A4 7/4885
US-20050182055-A1 5-Chloro-N-({(5S)-2-oxo-3-[4-(3-oxo-4-morpholinyl)phenyl]-1,3-oxazolidin-5-yl}methyl)-2-thiophenecarboxamide formed by reacting 4-{4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl}-morpholin-3-one hydrochloride with 5-chlorothiophene-2-carbonyl chloride NT5C, HTR2C, HTR5A F10 4646/4885CYP1A2 908/4885CYP3A4 962/4885

“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.