SCHEMBL3696199

SCHEMBL3696199

N#CCCCC(N)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 2/20 0.62
GSR P00390 2/20 0.56
ARG2 P78540 4/20 0.50
ARG1 P05089 3/20 0.50
NOS2 P35228 4/20 0.48
CYP1A2 P05177 3/20 0.48
CYP2C19 P33261 2/20 0.48
TSHR P16473 2/20 0.48
GLA P06280 1/20 0.48
NFKB1 P19838 1/20 0.48
APEX1 P27695 1/20 0.48
GRM8 O00222 1/20 0.48
GRM6 O15303 1/20 0.48
GRIN2D O15399 1/20 0.48
GRIN3B O60391 1/20 0.48
GRIK1 P39086 1/20 0.48
GRM5 P41594 1/20 0.48
GRIA1 P42261 1/20 0.48
GRIA2 P42262 1/20 0.48
GRIA3 P42263 1/20 0.48

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
SCHEMBL3696195 1.00 SLC1A2 (0.62) SLC1A2GSRARG2ARG1NOS2
SCHEMBL25662044 0.93 SLC1A2 (0.60) SLC1A2GSRARG2ARG1NOS2
SCHEMBL8126946 0.93 SLC1A2 (0.60) SLC1A2GSRARG2ARG1NOS2
SCHEMBL8530336 0.93 SLC1A2 (0.60) SLC1A2GSRARG2ARG1NOS2
SCHEMBL25660492 0.91 SLC1A2 (0.58) SLC1A2GSRARG2ARG1NOS2
SCHEMBL30562964 0.88
SCHEMBL21411550 0.88
SCHEMBL2708260 0.88
SCHEMBL158491 0.88
SCHEMBL13318957 0.88

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
EP-3339315-B1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS RETROTOPE INC (US) 2023-10-18 EP disclosed
US-10918126-B2 Isotopically modified compounds and their use as food supplements RETROTOPE, INC. (US) 2021-02-16 US disclosed
US-10918126-B2 Isotopically modified compounds and their use as food supplements RETROTOPE, INC. (US) 2021-02-16 US disclosed
US-20180303145-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2018-10-25 US disclosed
US-10015979-B2 Isotopically modified compounds and their use as food supplements RETROTOPE, INC. (US) 2018-07-10 US disclosed
US-10015979-B2 Isotopically modified compounds and their use as food supplements RETROTOPE, INC. (US) 2018-07-10 US disclosed
EP-3339315-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS Retrotope, Inc. (US) 2018-06-27 EP disclosed
EP-3339315-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS Retrotope, Inc. (US) 2018-06-27 EP disclosed
US-20170172195-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2017-06-22 US disclosed
US-20170172195-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2017-06-22 US disclosed
US-20150147457-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2015-05-28 US disclosed
US-8906405-B2 Isotopically modified compounds and their use as food supplements RETROTOPE, INC. (US) 2014-12-09 US disclosed
US-20100160248-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2010-06-24 US disclosed
US-20100160248-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS BIOJIVA LLC 2010-06-24 US disclosed
EP-1991068-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS Shchepinov, Mikhail Sergeevich (GB) 2008-11-19 EP disclosed
WO-2007102030-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS SHCHEPINOV MIKHAIL SERGEEVICH (GB) 2007-09-13 WO disclosed
US-6313097-B1 TREATMENT OR PROPHYLAXIS OF MIGRAINE OR CLUSTER HEADACHES, NON-INSULIN-DEPENDENT DIABETES MELLITUS, INFLAMMATION, ALLERGIC RHINITIS, ASTHMA, MORPHINE TOLERANCE, MENOPAUSAL HOT FLASHES, DISEASES CHARACTERIZED BY EXCESSIVE VASODILATATION BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-11-06 US disclosed
US-6114390-A AN ARGININAMIDE OR ORNITHINAMIDE COMPOUND AS TREATING MEMORY LOSS, MIGRAINE, SLEEP DISORDERS, PAIN, CARDIOVASCULAR DISEASES, SUBARACHNOIDAL BLEEDING, VASCULAR-HYPERTROPHIC CHANGES, CEREBRAL AND CORONARY VASOSPASMS KARL THOMAE GMBH (DE) 2000-09-05 US disclosed
EP-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 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 (5 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-20170172195-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS GPX4, FABP6, SLC25A20 SLC1A2 243/4885GSR 206/4885ARG2 318/4885
US-10015979-B2 Isotopically modified compounds and their use as food supplements GPX4, FABP6, SLC25A20 SLC1A2 243/4885GSR 206/4885ARG2 318/4885
US-20180303145-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS GPX4, FABP6, SLC25A20 SLC1A2 243/4885GSR 206/4885ARG2 318/4885
US-10918126-B2 Isotopically modified compounds and their use as food supplements GPX4, FABP6, SLC25A20 SLC1A2 243/4885GSR 206/4885ARG2 318/4885
US-20100160248-A1 ISOTOPICALLY MODIFIED COMPOUNDS AND THEIR USE AS FOOD SUPPLEMENTS GPX4, FABP6, CPT1A SLC1A2 234/4885GSR 124/4885ARG2 269/4885

“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.