SCHEMBL13435480

SCHEMBL13435480

CCOC(=O)CCNCCOC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
LTA4H P09960 4/20 0.46
CYP1A2 P05177 1/20 0.42
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
TRPA1 O75762 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TOP2A P11388 1/20 0.38

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
SCHEMBL8609294 0.89 LTA4H (0.53) GAAMGAMSIMGAM2LTA4H
SCHEMBL4464939 0.88 GAA (0.59) GAAMGAMSIMGAM2LTA4H
SCHEMBL19102485 0.86 GAA (0.52) GAAMGAMSIMGAM2LTA4H
SCHEMBL13756031 0.86 GAA (0.56) GAAMGAMSIMGAM2LTA4H
Hydrochloric Acid SCHEMBL11851530 0.86 GAA (0.56) GAAMGAMSIMGAM2LTA4H
SCHEMBL1398380 0.84 TSHR (0.52) GAAMGAMSIMGAM2LTA4H
SCHEMBL23152728 0.83 LTA4H (0.40) GAAMGAMSIMGAM2LTA4H
SCHEMBL5032610 0.83 ALDH1A1 (0.46) GAAMGAMSIMGAM2LTA4H
SCHEMBL10306173 0.83 GAA (0.45) GAAMGAMSIMGAM2LTA4H
SCHEMBL8609835 0.82 LTA4H (0.49) GAAMGAMSIMGAM2LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12371432-B2 Haloallylamine compounds and application thereof TRANSTHERA SCIENCES (NANJING), INC. (CN) 2025-07-29 US disclosed
EP-3892621-B1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TRANSTHERA SCIENCES NANJING INC (CN) 2024-09-18 EP disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-05-11 US disclosed
CN-115996927-A Pyrimido [5,4-d ] pyrimidine derivatives and combinations with adenosine receptor antagonists as ENT inhibitors for the treatment of cancer ITEOS比利时公司 2023-04-21 CN disclosed
CN-111434662-B Haloallylamine compound and application thereof 药捷安康(南京)科技股份有限公司 2023-01-10 CN disclosed
EP-4110784-A1 PYRIMIDO[5,4-D]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS iTeos Belgium SA (BE) 2023-01-04 EP disclosed
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF TransThera Sciences (Nanjing), Inc (CN) 2022-03-17 US disclosed
EP-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 EP disclosed
EP-3892621-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF Nanjing Transthera Biosciences Co., Ltd. (CN) 2021-10-13 EP disclosed
CN-111434662-A Haloallylamine compound and application thereof 南京药捷安康生物科技有限公司 2020-07-21 CN disclosed
WO-2020143763-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF 南京药捷安康生物科技有限公司 2020-07-16 WO disclosed
US-7671087-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR INC. (US) 2010-03-02 US disclosed
US-20090163593-A1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF AQUILA BRIAN M 2009-06-25 US disclosed
US-7511073-B2 Amines that inhibit a mammalian anandamide transporter, and methods of use thereof SEPRACOR, INC. (US) 2009-03-31 US 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-12371432-B2 Haloallylamine compounds and application thereof ADRA1D, ADRA1A, VAPA GAA 2675/4885MGAM 3943/4885SI 4741/4885
US-20220081439-A1 HALOALLYLAMINE COMPOUNDS AND APPLICATION THEREOF ADRA1D, ADRA1A, VAPA GAA 2675/4885MGAM 3943/4885SI 4741/4885
US-20230146675-A1 PYRIMIDO[5,4-d]PYRIMIDINE DERIVATIVES AS ENT INHIBITORS FOR THE TREATMENT OF CANCERS, AND COMBINATION THEREOF WITH ADENOSINE RECEPTOR ANTAGONISTS ENTPD5, ENTPD1, SLC29A1 GAA 2491/4885MGAM 4524/4885SI 2718/4885
US-20090163593-A1 AMINES THAT INHIBIT A MAMMALIAN ANANDAMIDE TRANSPORTER, AND METHODS OF USE THEREOF SLC6A2, HTR2A, SLC18A1 GAA 518/4885MGAM 2651/4885SI 2046/4885

“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.