SCHEMBL1995413

SCHEMBL1995413

O=C1C(N2CCOCC2)=CCCN1c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.50
▸ KDM4E B2RXH2 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ BLM P54132 1/20 0.50
▸ AKR1C3 P42330 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ KMT2A Q03164 3/20 0.44
▸ TDP1 Q9NUW8 3/20 0.44
▸ IDE P14735 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPK1 P28482 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ SIRT6 Q8N6T7 2/20 0.43
▸ POLB P06746 1/20 0.43
▸ ADRB1 P08588 1/20 0.43
▸ LMNA P02545 2/20 0.43
▸ KCNJ1 P48048 1/20 0.43

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
SCHEMBL18040317 0.85 MAPT (0.37) MAPTKDM4EGAABLMAKR1C3
SCHEMBL18040314 0.85 MAPT (0.37) MAPTKDM4EGAABLMAKR1C3
SCHEMBL17205575 0.85 SIRT6 (0.61) MAPTALDH1A1HPGDSIRT6POLB
SCHEMBL15731795 0.82 PIK3R1 (0.39) MAPTKDM4EGAAALDH1A1KMT2A
SCHEMBL1919863 0.81 AKR1C3 (0.44) MAPTBLMAKR1C3ALDH1A1CYP1A2
SCHEMBL6330031 0.81 KMT2A (0.49) MAPTKDM4EAKR1C3ALDH1A1KMT2A
SCHEMBL17576245 0.81 AKR1C3 (0.44) MAPTKDM4EGAAAKR1C3ALDH1A1
SCHEMBL29483984 0.81 RAD51 (0.51) MAPTAKR1C3KMT2ATDP1MEN1
SCHEMBL20050092 0.81 ALDH1A1 (0.42) MAPTKDM4EGAAALDH1A1CYP1A2
SCHEMBL16730298 0.81 MAPT (0.51) MAPTKDM4EALDH1A1CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119552160-A Preparation method of apixaban 济南健丰化工有限公司 2025-03-04 — — CN claimed
CN-117926290-A Preparation method of apixaban intermediate 成都化润药业有限公司 2024-04-26 — — CN claimed
CN-117659011-A New method for synthesizing apixaban 华东理工大学 2024-03-08 — — CN claimed
EP-3212620-B1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF JUBILANT GENERICS LTD FORMERLY JUBILANT LIFE SCIENCES DIVISION (IN) 2020-11-25 — — EP claimed
WO-2018158620-A1 PREPARATION OF ACTIVE PHARMACEUTICAL INGREDIENTS AND INTERMEDIATES THEREOF SUN PHARMACEUTICAL INDUSTRIES LIMITED (IN) 2018-09-07 — — WO claimed
US-9932336-B2 Process for the preparation of apixaban and intermediates thereof Jubilant Generics Limited (IN) 2018-04-03 — — US claimed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — US claimed
EP-3212620-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (Formerly Jubilant Life Sciences Division) (IN) 2017-09-06 — — EP claimed
US-9603846-B2 Process for the preparation of apixaban CADILA HEALTHCARE LIMITED (IN) 2017-03-28 — — US claimed
US-20160143894-A1 PROCESS FOR THE PREPARATION OF APIXABAN CADILA HEALTHCARE LIMITED (IN) 2016-05-26 — — US claimed
WO-2016067308-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF JUBILANT GENERICS LIMITED (FORMERLY JUBILANT LIFE SCIENCES DIVISION) (IN) 2016-05-06 — — WO claimed
US-20160113912-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2016-04-28 — — US claimed
WO-2014203275-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF CADILA HEALTHCARE LIMITED (IN) 2014-12-24 — — WO claimed
CN-119552160-A Preparation method of apixaban 济南健丰化工有限公司 2025-03-04 — — CN disclosed
CN-117926290-A Preparation method of apixaban intermediate 成都化润药业有限公司 2024-04-26 — — CN disclosed
CN-117926290-A Preparation method of apixaban intermediate 成都化润药业有限公司 2024-04-26 — — CN disclosed
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2004-11-04 — — US disclosed
US-20030232804-A1 Glycinamides as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-12-18 — — US disclosed
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors BRISTOL-MYERS SQUIBB COMPANY 2003-10-09 — — US disclosed
WO-2003048081-A2 GLYCINAMIDES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-06-12 — — WO 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 (6 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-20030232804-A1 Glycinamides as factor Xa inhibitors F11, F13B, F12 MAPT 4222/4885KDM4E 2789/4885GAA 107/4885
US-20040220174-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, PRSS1, CPB1 MAPT 4597/4885KDM4E 1548/4885GAA 898/4885
US-20160143894-A1 PROCESS FOR THE PREPARATION OF APIXABAN CYP4X1, CYP4B1, NPPA MAPT 4422/4885KDM4E 1186/4885GAA 2812/4885
US-20160113912-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, F12 MAPT 3949/4885KDM4E 3065/4885GAA 428/4885
US-20030191115-A1 Lactam-containing compounds and derivatives thereof as factor Xa inhibitors PEPD, HABP2, CPB1 MAPT 4569/4885KDM4E 3252/4885GAA 466/4885
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, CYP4X1 MAPT 4806/4885KDM4E 2146/4885GAA 1280/4885

“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.

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