SCHEMBL3315836

SCHEMBL3315836

OCC(CO)N1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 5/20 0.39
SLC6A2 P23975 4/20 0.39
SLC6A3 Q01959 3/20 0.39
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP19A1 P11511 1/20 0.33
HSD17B10 Q99714 1/20 0.33
IDO1 P14902 1/20 0.32
CHRM5 P08912 1/20 0.31
CHRM3 P20309 1/20 0.31
CA2 P00918 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
OPRD1 P41143 1/20 0.31
SIGMAR1 Q99720 1/20 0.30
CHKA P35790 1/20 0.30

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
Piperazine SCHEMBL28843492 0.97 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6960631 0.97 SLC6A4 (0.38) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL11344053 0.86 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL11212725 0.86 SLC6A4 (0.39) SLC6A4SLC6A2SLC6A3MEN1KMT2A
Hydrochloric Acid SCHEMBL6956663 0.84 SLC6A2 (0.34) SLC6A4SLC6A2SLC6A3CYP2D6IDO1
SCHEMBL28252629 0.83 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3
SCHEMBL14976680 0.83 SIGMAR1 (0.37) SLC6A4SLC6A2SLC6A3IDO1CHRM5
SCHEMBL29099885 0.80 SLC6A2 (0.35) SLC6A4SLC6A2SLC6A3MEN1KMT2A
SCHEMBL30842369 0.78 USP2 (0.46) MEN1KMT2ACYP2D6HSD17B10
SCHEMBL10537680 0.77 MEN1 (0.34) SLC6A4SLC6A2SLC6A3MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110229163-B Method for synthesizing hydroxyalkyl triethylene diamine compound 嘉兴润博化工科技有限公司 2022-05-24 CN claimed
CN-104557947-B A kind of method of 2 methylol triethylene diamines of continuous production 绍兴兴欣化工有限公司 2017-06-27 CN claimed
CN-104557947-A Method of producing 2-hydroxymethyl triethylenediamine continuously SHAOXING XINGXIN CHEMICAL CO LTD 2015-04-29 CN claimed
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
EP-3654968-B1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC (US) 2023-08-16 EP disclosed
CN-110229163-B Method for synthesizing hydroxyalkyl triethylene diamine compound 嘉兴润博化工科技有限公司 2022-05-24 CN disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2021-12-28 US disclosed
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MERCK SHARP & DOHME CORP. (US) 2020-09-10 US disclosed
US-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MERCK SHARP & DOHME CORP. (US) 2020-09-10 US disclosed
EP-3654968-A1 METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF Merck Sharp & Dohme Corp. (US) 2020-05-27 EP disclosed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 WO disclosed
CN-104557947-A Method of producing 2-hydroxymethyl triethylenediamine continuously SHAOXING XINGXIN CHEMICAL CO LTD 2015-04-29 CN disclosed
CN-104557947-A Method of producing 2-hydroxymethyl triethylenediamine continuously SHAOXING XINGXIN CHEMICAL CO LTD 2015-04-29 CN disclosed
EP-2295438-B1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING THE HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND TOSOH CORP (JP) 2015-03-18 EP disclosed
US-20110077376-A1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING IT TOSOH CORPORATION (JP) 2011-03-31 US disclosed
US-20110077376-A1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING IT TOSOH CORPORATION (JP) 2011-03-31 US disclosed
EP-2295438-A1 PROCESS FOR PRODUCING HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND, AND CATALYST COMPOSITION FOR THE PRODUCTION OF POLYURETHANE RESIN USING THE HYDROXYALKYLTRIETHYLENEDIAMINE COMPOUND Tosoh Corporation (JP) 2011-03-16 EP disclosed
WO-2010049731-A1 PYRAZOLO- AND IMIDAZOPYRIDINYLPYRIMIDINEAMINES AS IGF-1R TYROSINE KINASE INHIBITORS ASTRAZENECA AB (SE) 2010-05-06 WO disclosed
US-20100105655-A1 NOVEL COMPOUNDS 515 ASTRAZENECA AB 2010-04-29 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 (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-20200281913-A1 Metallo-Beta-Lactamase Inhibitors and Methods of Use Thereof MLX, MMP12, SLC11A2 SLC6A4 2162/4885SLC6A2 856/4885SLC6A3 1263/4885
US-20100105655-A1 NOVEL COMPOUNDS 515 TYMS, ABCG2, UMPS SLC6A4 2697/4885SLC6A2 3204/4885SLC6A3 3889/4885
US-11207312-B2 Metallo-beta-lactamase inhibitors and methods of use thereof MLX, MMP12, SLC11A2 SLC6A4 2162/4885SLC6A2 856/4885SLC6A3 1263/4885

“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.