SCHEMBL16730279

SCHEMBL16730279

O=C(CCCCCl)Nc1ccc(N2CCC=C(N3CCOCC3)C2=O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ MAPK1 P28482 1/20 0.52
▸ MAPT P10636 12/20 0.49
▸ CNR1 P21554 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ ALDH1A1 P00352 4/20 0.48
▸ L3MBTL1 Q9Y468 2/20 0.48
▸ USP2 O75604 1/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ POLB P06746 1/20 0.44
▸ JAK2 O60674 1/20 0.44
▸ JAK1 P23458 1/20 0.44
▸ TYK2 P29597 1/20 0.44
▸ JAK3 P52333 1/20 0.44

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
SCHEMBL16730277 0.97 NPC1 (0.57) NPC1RAB9AMAPK1MAPTCNR1
SCHEMBL18028126 0.93 MAPT (0.49) NPC1RAB9AMAPK1MAPTCNR1
SCHEMBL17713154 0.90 CNR1 (0.49) NPC1RAB9AMAPK1MAPTCNR1
SCHEMBL18383369 0.90 CNR1 (0.62) NPC1RAB9AMAPK1MAPTCNR1
SCHEMBL16730425 0.85 MAPT (0.44) NPC1RAB9AMAPK1MAPTCNR1
SCHEMBL16730429 0.84 MAPT (0.49) NPC1RAB9AMAPK1MAPTSMN1; SMN2
SCHEMBL18028145 0.82 NPC1 (0.45) NPC1RAB9AMAPK1MAPTSMN1; SMN2
SCHEMBL18028138 0.82 MAPT (0.45) NPC1RAB9AMAPK1MAPTSMN1; SMN2
SCHEMBL23000084 0.80 NPC1 (0.77) NPC1RAB9AMAPK1MAPTCNR1
SCHEMBL18058762 0.78 HDAC8 (0.41) NPC1RAB9AMAPK1MAPTSMN1; SMN2

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115417807-B Preparation method and application of apixaban intermediate 扬子江药业集团上海海尼药业有限公司 2024-07-16 — — CN disclosed
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 disclosed
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 disclosed
US-20180118737-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2018-05-03 — — US disclosed
US-9932336-B2 Process for the preparation of apixaban and intermediates thereof Jubilant Generics Limited (IN) 2018-04-03 — — US disclosed
US-9932336-B2 Process for the preparation of apixaban and intermediates thereof Jubilant Generics Limited (IN) 2018-04-03 — — US disclosed
US-9932336-B2 Process for the preparation of apixaban and intermediates thereof Jubilant Generics Limited (IN) 2018-04-03 — — US disclosed
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
US-9815833-B2 Pyridine derivative and medical use thereof CHENGDU EASTON BIOPHARMACEUTICALS CO., LTD. (CN) 2017-11-14 — — US disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — US disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — US disclosed
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF Jubilant Generics Limited (IN) 2017-11-02 — — US disclosed
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 disclosed
WO-2017013079-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S. - FABBRICA ITALIANA SINTETICI S.P.A. (IT) 2017-01-26 — — WO disclosed
EP-3072892-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Chengdu Easton Biopharmaceuticals Co., Ltd. (CN) 2016-09-28 — — EP disclosed
EP-3064497-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F.I.S.- Fabbrica Italiana Sintetici S.p.A. (IT) 2016-09-07 — — EP disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
US-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF Zhejiang Yatai Pharmaceutical Co., Ltd. (CN) 2016-08-25 — — US disclosed
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 disclosed
WO-2015070809-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF 成都苑东药业有限公司 2015-05-21 — — 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 (3 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-20160244440-A1 PYRIDINE DERIVATIVE AND MEDICAL USE THEREOF PEPD, F2, XDH NPC1 3778/4885RAB9A 2859/4885MAPK1 1396/4885
US-20180118737-A1 DIMER IMPURITIES OF APIXABAN AND METHOD TO REMOVE THEM F2, FGB, F8 NPC1 4007/4885RAB9A 1295/4885MAPK1 4254/4885
US-20170313699-A1 PROCESS FOR THE PREPARATION OF APIXABAN AND INTERMEDIATES THEREOF VKORC1, VKORC1L1, CYP4X1 NPC1 2525/4885RAB9A 1434/4885MAPK1 2059/4885

“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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