SCHEMBL9747951

SCHEMBL9747951

CCCC(CCCN)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.70
AKR1A1 P14550 1/20 0.70
CHRM3 P20309 1/20 0.70
HTR2A P28223 1/20 0.70
HTR2C P28335 1/20 0.70
ADRA1A P35348 1/20 0.70
HRH1 P35367 1/20 0.70
DRD3 P35462 1/20 0.70
SLC6A3 Q01959 1/20 0.70
HDAC1 Q13547 1/20 0.70
HDAC2 Q92769 1/20 0.70
TDP1 Q9NUW8 1/20 0.70
CPB2 Q96IY4 8/20 0.61
CA2 P00918 1/20 0.54
MAPK1 P28482 1/20 0.54
SLC1A2 P43004 3/20 0.53
SLC1A1 P43005 3/20 0.53
GRIK1 P39086 3/20 0.53
GRIK2 Q13002 3/20 0.53
SLC1A3 P43003 2/20 0.53

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
Hydrochloric Acid SCHEMBL8420827 0.98 CHRM1 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL924106 0.94 CHRM1 (0.67) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL10640567 0.92 CHRM1 (0.64) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL3508609 0.90 CHRM1 (0.61) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL1370161 0.89 CPB2 (0.74) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL24199997 0.88 GRIK1 (0.62) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL6412189 0.88 GRIK1 (0.62) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2228988 0.86 CHRM1 (0.76) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL11880433 0.86 CHRM1 (0.84) CHRM1AKR1A1CHRM3HTR2AHTR2C
Hydrochloric Acid SCHEMBL8536227 0.86 CPB2 (0.71) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4443365-A Method for determination of the valproic acid and reagents therein DAINIPPON PHARMACEUTICAL COMPANY LIMITED (JP) 1984-04-17 US claimed
EP-0043285-B1 METHOD FOR DETERMINATION OF VALPROIC ACID AND REAGENTS THEREIN Dainippon Pharmaceutical Co., Ltd. (JP) 1984-01-04 EP claimed
EP-0043285-A1 Method for determination of valproic acid and reagents therein Dainippon Pharmaceutical Co., Ltd. (JP) 1982-01-06 EP claimed
CN-114646698-B Method for detecting sodium valproate and related substances thereof in sodium valproate injection 西安远大德天药业股份有限公司 2023-09-22 CN disclosed
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. (US) 2023-02-23 US disclosed
US-20220096639-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS Frequency Therapeutics, Inc. 2022-03-31 US disclosed
EP-3921309-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. (US) 2021-12-15 EP disclosed
US-11160868-B2 Thermoreversible compositions for administration of therapeutic agents Frequency Therapeutics, Inc. (US) 2021-11-02 US disclosed
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS Frequency Therapeutics, Inc. 2021-09-30 US disclosed
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same Frequency Therapeutics, Inc. (US) 2021-07-20 US disclosed
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME Frequency Therapeutics, Inc. 2020-10-08 US disclosed
WO-2018053316-A1 IMPROVED HYBRID TELODENDRIMERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2018-03-22 WO disclosed
US-20170252448-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS Frequency Therapeutics, Inc. 2017-09-07 US disclosed
EP-3035968-A2 TELODENDRIMERS AND NANOCARRIERS AND METHODS OF USING SAME The Research Foundation for the State University of New York (US) 2016-06-29 EP disclosed
WO-2015027054-A2 TELODENDRIMERS AND NANOCARRIERS AND METHODS OF USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2015-02-26 WO disclosed
US-5097097-A Tracers, medical diagnosis ABBOTT LABORATORIES (US) 1992-03-17 US disclosed
EP-0043285-B2 METHOD FOR DETERMINATION OF VALPROIC ACID AND REAGENTS THEREIN Dainippon Pharmaceutical Co., Ltd. (JP) 1988-06-22 EP disclosed
US-4593089-A Determining aminoglycosides ABBOTT LABORATORIES (US) 1986-06-03 US disclosed
EP-0043285-B1 METHOD FOR DETERMINATION OF VALPROIC ACID AND REAGENTS THEREIN Dainippon Pharmaceutical Co., Ltd. (JP) 1984-01-04 EP disclosed
US-4420568-A DETERMINING LIGANDS IN SAMPLE ABBOTT LABORATORIES (US) 1983-12-13 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 (7 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-11160868-B2 Thermoreversible compositions for administration of therapeutic agents MKI67, MCL1, HSPE1 CHRM1 4879/4885AKR1A1 2463/4885CHRM3 4805/4885
US-20210300948-A1 1H-PYRROLE-2,5-DIONE COMPOUNDS AND METHODS OF USING THEM TO INDUCE SELF-RENEWAL OF STEM/PROGENITOR SUPPORTING CELLS MCL1, PROX1, MKI67 CHRM1 4722/4885AKR1A1 2773/4885CHRM3 4821/4885
US-20220096639-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS MKI67, MCL1, HSPE1 CHRM1 4879/4885AKR1A1 2463/4885CHRM3 4805/4885
US-20200316089-A1 1,2-DIHYDRO-3H-PYRAZOL-3-ONE COMPOUNDS AND METHODS OF USING SAME DCX, MCL1, MKI67 CHRM1 4660/4885AKR1A1 3153/4885CHRM3 4561/4885
US-20170252448-A1 THERMOREVERSIBLE COMPOSITIONS FOR ADMINISTRATION OF THERAPEUTIC AGENTS MKI67, MCL1, HSPE1 CHRM1 4879/4885AKR1A1 2463/4885CHRM3 4805/4885
US-20230058189-A1 QUINOLIN-4-ONE AND 4(1H)-CINNOLINONE COMPOUNDS AND METHODS OF USING SAME DCX, NES, MCL1 CHRM1 3860/4885AKR1A1 1868/4885CHRM3 4246/4885
US-11066419-B2 1H-pyrrole-2,5-dione compounds and methods of using same MKI67, PROX1, DCX CHRM1 4667/4885AKR1A1 2276/4885CHRM3 4878/4885

“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.