SCHEMBL449666

SCHEMBL449666

O=C(O)C(O)N(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.44
LMNA P02545 3/20 0.43
MAPK1 P28482 1/20 0.43
SRC P12931 2/20 0.39
CYP2D6 P10635 1/20 0.39
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
HTT P42858 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
GLA P06280 1/20 0.38
TSHR P16473 1/20 0.38
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL449664 1.00 NPSR1 (0.44) NPSR1LMNAMAPK1SRCCYP2D6
Ethylenediamine SCHEMBL2218952 0.90 ADRA2C (0.40) NPSR1LMNAMAPK1CYP2D6ALDH1A1
Ethylenediamine SCHEMBL7109144 0.90 ADRA2C (0.40) NPSR1LMNAMAPK1CYP2D6ALDH1A1
SCHEMBL10455652 0.76 NPSR1 (0.43) NPSR1LMNAMAPK1SRCCYP2D6
SCHEMBL4387215 0.76 ALDH1A1 (0.43) NPSR1LMNASRCCYP2D6ALDH1A1
SCHEMBL4387218 0.76 ALDH1A1 (0.43) NPSR1LMNASRCCYP2D6ALDH1A1
SCHEMBL10455650 0.76 NPSR1 (0.43) NPSR1LMNAMAPK1SRCCYP2D6
SCHEMBL329145 0.74 NPSR1 (0.41) NPSR1LMNAMAPK1SRCCYP2D6
SCHEMBL9283942 0.74 NPSR1 (0.41) NPSR1LMNAMAPK1SRCCYP2D6
SCHEMBL9283953 0.74 NPSR1 (0.41) NPSR1LMNAMAPK1SRCCYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240408041-A1 COMPOSITIONS AND METHODS FOR TREATING CANNABINOID HYPEREMESIS SYNDROME HABBOUSHE JOSEPH (US) 2024-12-12 US claimed
EP-4237427-A1 ANTIBACTERIAL CYCLOPEPTIDES TARGETING ACINETOBACTER AND OTHER GRAM-NEGATIVE PATHOGENS University of Utah Research Foundation (US) 2023-09-06 EP claimed
CN-116670151-A Antibacterial cyclic peptides targeting acinetobacter and other gram negative pathogens 犹他大学研究基金会 2023-08-29 CN claimed
CN-115279416-A Reactive conjugates 德彪药业国际股份公司 2022-11-01 CN claimed
WO-2022094273-A1 ANTIBACTERIAL CYCLOPEPTIDES TARGETING ACINETOBACTER AND OTHER GRAM-NEGATIVE PATHOGENS UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2022-05-05 WO claimed
WO-2021140526-A1 MUTANT PENICILLIN G ACYLASES OF ACHROMOBACTER CCM4824 FERMENTA BIOTECH LIMITED (IN) 2021-07-15 WO claimed
CN-107523219-B Chemical Mechanical Polishing (CMP) of cobalt-containing substrates 弗萨姆材料美国有限责任公司 2020-12-29 CN claimed
US-10745589-B2 Chemical mechanical polishing (CMP) of cobalt-containing substrate VERSUM MATERIALS US, LLC (US) 2020-08-18 US claimed
US-20200061155-A1 COMPOSITIONS AND METHODS FOR TREATING LYNX2 DISORDERS OPHIDION INC. 2020-02-27 US claimed
US-20190172720-A1 Chemical Mechanical Polishing (CMP) of Cobalt-Containing Substrate VERSUM MATERIALS US, LLC (US) 2019-06-06 US claimed
CN-1303991-C Stabilized pharmaceutical preparations of gamma-aminobutyric acid derivative process for preparing the same WARNER LAMBERT CO (US) 2007-03-14 CN claimed
EP-1077692-B1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2004-07-28 EP claimed
EP-1274670-A1 METHOD FOR THE PRODUCTION OF AROMATIC OR HETEROAROMATIC ALDEHYDES OR KETONES BY OXIDATIVE DECARBOXYLATION DSM Fine Chemicals Austria Nfg GmbH & Co KG (AT) 2003-01-15 EP claimed
EP-0848064-B1 New antibiotic, Feglymycine, process for its preparation and use of the same HOECHST AG (DE) 2001-11-14 EP claimed
WO-2001079147-A1 METHOD FOR THE PRODUCTION OF AROMATIC OR HETEROAROMATIC ALDEHYDES OR KETONES BY OXIDATIVE DECARBOXYLATION DSM FINE CHEMICALS AUSTRIA NFG GMBH & CO KG (AT) 2001-10-25 WO claimed
CN-1301155-A Stable pharmaceutical formulation of gamma-aminobutyric acid derivatives and process for preparing the same WARNER LAMBERT CO (US) 2001-06-27 CN claimed
EP-1077692-A1 AMINO ACID STABILIZED GABAPENTIN AND PREGABALIN PREPARATIONS AND PROCESS FOR PREPARING THE SAME Warner-Lambert Company LLC (US) 2001-02-28 EP claimed
WO-1999059573-A9 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER LAMBERT CO (US) 2000-05-04 WO claimed
WO-1999059573-A1 STABILIZED PHARMACEUTICAL PREPARATIONS OF GAMMA-AMINOBUTYRIC ACID DERIVATIVES AND PROCESS FOR PREPARING THE SAME WARNER-LAMBERT COMPANY (US) 1999-11-25 WO claimed
EP-0164026-A1 Process for the preparation of optically active glycine derivatives BEECHAM GROUP PLC (GB) 1985-12-11 EP claimed

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-20240408041-A1 COMPOSITIONS AND METHODS FOR TREATING CANNABINOID HYPEREMESIS SYNDROME CNR2, TRPV1, CNR1 NPSR1 67/4885LMNA 2374/4885MAPK1 3201/4885

“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.