SCHEMBL527749

SCHEMBL527749

CC(=O)C(CO)[N+](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.33
POLB P06746 1/20 0.33
ALPG P10696 1/20 0.33
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
BBOX1 O75936 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
SCHEMBL172177 0.78 OR51E2 (0.39) ALPLPOLBALPGALOX15TSHR
SCHEMBL3675850 0.76 ALOX15 (0.33) ALPLPOLBALPGALOX15
SCHEMBL19628872 0.71
SCHEMBL27561660 0.69 ALOX15 (0.31) ALOX15TSHR
SCHEMBL22479145 0.63 GABRR1 (0.36) ALPLPOLBALPGTSHRCHRM1
SCHEMBL6743070 0.63 OR51E2 (0.36) TSHRCHRM1
SCHEMBL3042219 0.63
SCHEMBL9405813 0.63
SCHEMBL13113139 0.61
SCHEMBL22231199 0.61

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200375929-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CANCER, INFLAMMATION, OR IMMUNE RESPONSE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2020-12-03 US disclosed
EP-3668497-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CANCER, INFLAMMATION, OR IMMUNE RESPONSE Washington University (US) 2020-06-24 EP disclosed
EP-2877486-B1 PEPTIDE-BASED COMPOUNDS AND USES THEREOF TO TREAT BETA-AMYLOID ACCUMULATION MANUS PHARMACEUTICALS CANADA LTD (CA) 2019-05-01 EP disclosed
WO-2019036509-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CANCER, INFLAMMATION, OR IMMUNE RESPONSE WASHINGTON UNIVERSITY (US) 2019-02-21 WO disclosed
EP-3418270-A1 NOVEL BIPHENYLSULFOXIMINES AS ALLOSTERIC MODULATORS OF THE DOPAMINE D1 RECEPTOR Universidad Complutense De Madrid (ES) 2018-12-26 EP disclosed
US-20170266222-A1 MODULATION OF CHRFAM7A FOR ANTI-INFLAMMATORY THERAPIES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2017-09-21 US disclosed
US-9718869-B2 Peptide-based compounds and uses thereof to treat beta-amyloid accumulation MANUS PHARMACEUTICALS (CANADA) LTD. (CA) 2017-08-01 US disclosed
EP-3193835-A1 LIQUID INHALATION FORMULATION COMPRISING RPL554 Verona Pharma PLC (GB) 2017-07-26 EP disclosed
WO-2016042313-A1 LIQUID INHALATION FORMULATION COMPRISING RPL554 VERONA PHARMA PLC (GB) 2016-03-24 WO disclosed
US-20150337026-A1 PEPTIDE-BASED COMPOUNDS AND USES THEREOF TO TREAT BETA-AMYLOID ACCUMULATION PHARMA BIO LLC (RU) 2015-11-26 US disclosed
US-8715676-B2 Production and uses of type I ribosome inactivating proteins BIOO SCIENTIFIC CORPORATION (US) 2014-05-06 US disclosed
EP-2598873-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME Metabolon, Inc. (US) 2013-06-05 EP disclosed
EP-2473199-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS Brain Watch Ltd. (IL) 2012-07-11 EP disclosed
WO-2012015904-A2 BIOMARKERS FOR PROSTATE CANCER AND METHODS USING THE SAME METABOLON, INC. (US) 2012-02-02 WO disclosed
US-20110236366-A1 PRODUCTION AND USES OF TYPE I RIBOSOME INACTIVATING PROTEINS BIOO SCIENTIFIC CORPORATION 2011-09-29 US disclosed
WO-2011024156-A1 ISOTOPICALLY LABELED NEUROCHEMICAL AGENTS AND USES THEREOF FOR DIAGNOSING CONDITIONS AND DISORDERS BRAIN WATCH LTD. (IL) 2011-03-03 WO disclosed
WO-2005086590-A2 MUSCLE-RELAXING PROTEINS AND USES THEREOF YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2005-09-22 WO disclosed
CN-1030480-A The preparation technology of liquid ion-exchanger composite used as acetylcholine ion-selective microelectrode UNIV ZHEJIANG (CN) 1989-01-18 CN 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 (2 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-20200375929-A1 METHODS AND COMPOSITIONS FOR THE TREATMENT OF DISEASES ASSOCIATED WITH CANCER, INFLAMMATION, OR IMMUNE RESPONSE IKBKG, IKBKB, NFKBIA ALPL 828/4885POLB 150/4885ALPG 1277/4885
US-20150337026-A1 PEPTIDE-BASED COMPOUNDS AND USES THEREOF TO TREAT BETA-AMYLOID ACCUMULATION APP, IAPP, TTR ALPL 1378/4885POLB 2129/4885ALPG 2825/4885

“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.