SCHEMBL2037660

SCHEMBL2037660

CC(C)(N)C(=O)O.CC(CN)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRR1 P24046 2/20 0.50
CYP1A2 P05177 1/20 0.39
ENPEP Q07075 2/20 0.39
LTA4H P09960 1/20 0.35
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC7A5 Q01650 1/20 0.34
CACNA2D1 P54289 2/20 0.34
FOLH1 Q04609 2/20 0.34
NAALAD2 Q9Y3Q0 2/20 0.34
CACNB3 P54284 1/20 0.34
CACNA1C Q13936 1/20 0.34
PGR P06401 1/20 0.34
ADRA1A P35348 1/20 0.34
HTR2B P41595 1/20 0.34
CACNA2D2 Q9NY47 1/20 0.34

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
SCHEMBL904646 0.91 GABRR1 (0.50) GABRR1CYP1A2ENPEPLTA4HALDH1A1
SCHEMBL2191 0.84
SCHEMBL21114361 0.84 GABRR1 (0.65) GABRR1CYP1A2ENPEPLTA4HSLC7A5
SCHEMBL565484 0.84
SCHEMBL456709 0.84
SCHEMBL17113671 0.84 GABRR1 (0.43) GABRR1CYP1A2ENPEPLTA4HALDH1A1
Hydrochloric Acid SCHEMBL27599300 0.82
Hydrochloric Acid SCHEMBL2582220 0.82
Water SCHEMBL1565541 0.82
Hydrochloric Acid SCHEMBL27603637 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023076257-A1 METHODS FOR DIAGNOSING LEPTOMININGEAL METASTASIS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2023-05-04 WO disclosed
CN-112074289-A Thioether cyclic peptide amylin receptor modulators 詹森药业有限公司 2020-12-11 CN disclosed
EP-3658169-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER Yeda Research and Development Co. Ltd (IL) 2020-06-03 EP disclosed
WO-2019021284-A1 COMBINATION THERAPY FOR THE TREATMENT OF CANCER YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2019-01-31 WO disclosed
EP-3046929-A1 ERK-DERIVED PEPTIDES AND USES THEREOF Yeda Research and Development Co., Ltd. (IL) 2016-07-27 EP disclosed
WO-2015040609-A1 ERK-DERIVED PEPTIDES AND USES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2015-03-26 WO disclosed
EP-2597464-B1 Metabolomic profiling of prostate cancer UNIV MICHIGAN (US) 2015-02-25 EP disclosed
EP-2597464-A2 Metabolomic profiling of prostate cancer The Regents of the University of Michigan (US) 2013-05-29 EP disclosed
WO-2011080102-A2 GLP-1 ANALOGUES AND DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 WO disclosed
WO-2011080103-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 WO disclosed
US-20110166321-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES NOVO NORDISK A/S (DK) 2011-07-07 US disclosed
WO-2011073328-A1 GLP-1 RECEPTOR AGONIST COMPOUNDS WITH A MODIFIED N-TERMINUS NOVO NORDISK A/S (DK) 2011-06-23 WO disclosed
EP-2179292-A1 METABOLOMIC PROFILING OF PROSTATE CANCER The Regents of the University of Michigan (US) 2010-04-28 EP disclosed
WO-2009026152-A1 METABOLOMIC PROFILING OF PROSTATE CANCER THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2009-02-26 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 (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-20110166321-A1 DOUBLE-ACYLATED GLP-1 DERIVATIVES GLP1R, IAPP, GCG GABRR1 2742/4885CYP1A2 3626/4885ENPEP 1672/4885

“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.