SCHEMBL3394009

SCHEMBL3394009

CC(=O)NCC1CCOCC1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CCNT1 O60563 1/20 0.41
BRD4 O60885 1/20 0.41
CACNA1H O95180 1/20 0.40
ALOX15 P16050 1/20 0.39
EPHX1 P07099 2/20 0.38
MAPK1 P28482 1/20 0.38
NAMPT P43490 2/20 0.38
MTNR1A P48039 2/20 0.37
MTNR1B P49286 2/20 0.37
PIK3CD O00329 1/20 0.37
FUCA1 P04066 1/20 0.37
EPHX2 P34913 1/20 0.36

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
SCHEMBL31678251 0.88 NAMPT (0.40) TDP1CACNA1HMAPK1NAMPTMTNR1A
SCHEMBL15461396 0.88 NAMPT (0.40) TDP1CACNA1HMAPK1NAMPTMTNR1A
SCHEMBL13165688 0.84 TDP1 (0.58) NPC1RAB9ATDP1CACNA1HALOX15
SCHEMBL48633 0.84
SCHEMBL18936070 0.83 TDP1 (0.43) NPC1RAB9ATDP1EPHX1MAPK1
Hydrochloric Acid SCHEMBL4553435 0.82
SCHEMBL9956855 0.81 CYP2D6 (0.53) NPC1RAB9ATDP1BRD4EPHX1
SCHEMBL5968680 0.80 EPHX1 (0.57) NPC1RAB9ATDP1CACNA1HALOX15
SCHEMBL5969117 0.80
SCHEMBL22312533 0.80 NPC1 (0.42) NPC1RAB9ATDP1BRD4EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016124553-A1 2-PHENYL-3H-IMIDAZO[4,5-B]PYRIDINE DERIVATES USEFUL AS INHIBITORS OF MAMMALIAN TYROSINE KINASE ROR1 ACTIVITY KANCERA AB (SE) 2016-08-11 WO claimed
EP-2678342-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES Takeda Pharmaceutical Company Limited (JP) 2014-01-01 EP claimed
EP-2658851-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA Cadila Healthcare Limited (IN) 2013-11-06 EP claimed
WO-2012148548-A1 N-SUBSTITUTED OXAZINOPTERIDINES AND OXAZINOPTERIDINONES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-11-01 WO claimed
WO-2012090220-A1 HETEROCYCLIC COMPOUNDS SUITABLE FOR THE TREATMENT OF DYSLIPIDEMIA CADILA HEALTHCARE LIMITED (IN) 2012-07-05 WO claimed
US-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives IDORSIA PHARMACEUTICALS LTD (CH) 2025-09-09 US disclosed
CN-117396480-A Pyrazolopyrimidinone compounds 奥弗恩制药公司 2024-01-12 CN disclosed
WO-2023093787-A1 BENZODIAZEPINE COMPOUND AND APPLICATION THEREOF AS RHO KINASE INHIBITOR 成都奥睿药业有限公司 2023-06-01 WO disclosed
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS HIBERCELL, INC. 2022-12-08 US disclosed
US-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES IDORSIA PHARMACEUTICALS LTD (CH) 2022-09-29 US disclosed
CN-112074523-B Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2022-08-09 CN disclosed
CN-114685505-A Imidazopyrrolopyridines as JAK family kinase inhibitors 詹森药业有限公司 2022-07-01 CN disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
US-20090075968-A1 CETP inhibitors SAKAKI JUNICHI 2009-03-19 US disclosed
EP-2024356-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS Novartis AG (CH) 2009-02-18 EP disclosed
EP-1968941-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) Novartis AG (CH) 2008-09-17 EP disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 WO disclosed
WO-2007128568-A1 BICYCLIC DERIVATIVES AS CETP INHIBITORS NOVARTIS AG (CH) 2007-11-15 WO disclosed
WO-2007073934-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) NOVARTIS AG (CH) 2007-07-05 WO disclosed
WO-2007073934-A1 PYRIDINYL AMINE DERIVATIVES AS INHIBITORS OF CHOLESTERYL ESTER TRANSFER PROTEIN (CETP) NOVARTIS AG (CH) 2007-07-05 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 (4 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-20220306674-A1 (2-ACETAMIDYL)THIO-BETA-D-GALACTOPYRANOSIDE DERIVATIVES LGALS1, LGALS3, LGALS2 NPC1 982/4885RAB9A 1538/4885TDP1 1042/4885
US-12410208-B2 (2-acetamidyl)thio-beta-D-galactopyranoside derivatives LGALS1, LGALS3, LGALS2 NPC1 982/4885RAB9A 1538/4885TDP1 1042/4885
US-20220388964-A1 (AZA)INDAZOLYL-ARYL SULFONAMIDE AND RELATED COMPOUNDS AND THEIR USE IN TREATING MEDICAL CONDITIONS EIF2AK4, GCN1, GNAI2 NPC1 1141/4885RAB9A 1575/4885TDP1 3827/4885
US-20090075968-A1 CETP inhibitors CETP, PCSK9, MTTP NPC1 6/4885RAB9A 3924/4885TDP1 1699/4885

“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.