SCHEMBL2232612

SCHEMBL2232612

CC(O)C(N)Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 2/20 0.61
TAAR1 Q96RJ0 2/20 0.61
MAOA P21397 1/20 0.61
SLC6A4 P31645 1/20 0.61
SLC6A3 Q01959 1/20 0.61
SIGMAR1 Q99720 1/20 0.61
CYP2A6 P11509 1/20 0.61
ADORA2A P29274 1/20 0.61
ADORA1 P30542 1/20 0.61
CYP2D6 P10635 1/20 0.57
TRPA1 O75762 2/20 0.55
CSNK1E P49674 1/20 0.54
EPHX1 P07099 1/20 0.54
SLC15A1 P46059 1/20 0.51
LAP3 P28838 4/20 0.51
ANPEP P15144 2/20 0.51
RNPEP Q9H4A4 1/20 0.51
DNPEP Q9ULA0 1/20 0.51
ALPI P09923 1/20 0.50
PKM P14618 1/20 0.50

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
SCHEMBL23752456 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL8091553 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL29941240 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6191623 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6193282 1.00 SLC6A2 (0.61) SLC6A2TAAR1MAOASLC6A4SLC6A3
Hydrochloric Acid SCHEMBL27535848 0.98 SLC6A2 (0.59) SLC6A2TAAR1MAOASLC6A4SLC6A3
Bicarbonate SCHEMBL7838533 0.94 SLC15A1 (0.56) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6575399 0.83 SLC6A2 (0.57) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL6580061 0.83 SLC6A2 (0.57) SLC6A2TAAR1MAOASLC6A4SLC6A3
SCHEMBL22431194 0.82 EPHX1 (0.58) SLC6A2TAAR1MAOASLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105152978-B A kind of preparation method of the butanol of 3 tert-butoxycarbonylamino of (2R, 3S) 1 chlorine, 4 phenyl 2 上海应用技术学院 2017-08-25 CN claimed
US-8829208-B2 Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA LTD. (IL) 2014-09-09 US claimed
EP-2528923-B1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LTD (IL) 2014-07-30 EP claimed
EP-2528923-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES Mapi Pharma Limited (IL) 2012-12-05 EP claimed
US-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA LIMITED (IL) 2012-11-22 US claimed
CN-102725295-A Process for the preparation of darunavir and darunavir intermediates MAPI PHARMA HK LTD 2012-10-10 CN claimed
WO-2011092687-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES MAPI PHARMA HK LIMITED (CN) 2011-08-04 WO claimed
US-5936104-A Process for producing 1,2-epoxy-3-amino-4-phenylbutane derivatives KANEKA CORPORATION (JP) 1999-08-10 US claimed
EP-3681504-B1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ICAGEN INC (US) 2023-08-23 EP disclosed
US-11573224-B2 Methods of detection using X-ray fluorescence ICAGEN, LLC (US) 2023-02-07 US disclosed
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 US disclosed
US-20210254056-A1 IDENTIFICATION AND TARGETED MODULATION OF GENE SIGNALING NETWORKS CAMP4 THERAPEUTICS CORPORATION 2021-08-19 US disclosed
US-10877035-B2 Advanced drug development and manufacturing ICAGEN, LLC (US) 2020-12-29 US disclosed
US-20200278346-A1 METHODS OF DETECTION USING X-RAY FLUORESCENCE ADJACENT ACQUISITION CO., LLC 2020-09-03 US disclosed
US-5559256-A Aminediol protease inhibitors E. R. SQUIBB & SONS, INC. (US) 1996-09-24 US disclosed
CN-1085546-A Aminediol protease inhibitors SQUIBB & SONS INC (US) 1994-04-20 CN disclosed
US-4983567-A Immunomodulators and methods of making same BIOMEASURE, INC. (US) 1991-01-08 US disclosed
US-4871870-A Immunomodulators and method of making same BIOMEASURE, INC. (US) 1989-10-03 US disclosed
EP-0283260-A1 Immunomodulators and method of making same BIOMEASURE, INC. (US) 1988-09-21 EP disclosed
US-4146560-A HYDROGENATION; COPPER-COBALT-CHROMIUM CATALYST TEXACO DEVELOPMENT CORP. (US) 1979-03-27 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 (1 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-20120296101-A1 PROCESS FOR THE PREPARATION OF DARUNAVIR AND DARUNAVIR INTERMEDIATES CYP3A43, CYP3A4, DHPS SLC6A2 4390/4885TAAR1 4509/4885MAOA 2072/4885

“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.