SCHEMBL934532

SCHEMBL934532

NC(=O)CCCc1ccc(O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.59
ESR1 P03372 3/20 0.54
ESR2 Q92731 1/20 0.54
TRPV1 Q8NER1 2/20 0.53
ADRA2A P08913 3/20 0.52
SLC6A2 P23975 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ALDH1A1 P00352 2/20 0.52
HTR1A P08908 1/20 0.52
CYP2C19 P33261 1/20 0.52
HTR3A P46098 1/20 0.52
BACE1 P56817 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ACHE P22303 3/20 0.50
ADORA3 P0DMS8 2/20 0.50
TACR2 P21452 2/20 0.50
SLC6A4 P31645 2/20 0.50
SLC6A3 Q01959 2/20 0.50
SGMS1 Q86VZ5 2/20 0.50

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
SCHEMBL4938894 0.94 ACHE (0.57) CA2ESR1ESR2ADRA2ASLC6A2
SCHEMBL5724132 0.92 ACHE (0.60) CA2ESR1ESR2ADRA2ASLC6A2
SCHEMBL31390626 0.92 ACHE (0.60) CA2ESR1ESR2ADRA2ASLC6A2
SCHEMBL154384 0.89 CA2 (0.61) CA2ESR1ESR2TRPV1ADRA2A
SCHEMBL7753254 0.84 ESR1 (0.56) CA2ESR1ESR2TRPV1ADRA2A
Hydroxyphenyl Propionic Acid SCHEMBL27946436 0.84 FFAR1 (0.55) CA2ESR1ESR2TRPV1DPP4
SCHEMBL20399733 0.83 HDAC2 (0.62) CA2ESR1ESR2ADRA2ASLC6A2
SCHEMBL284671 0.83 SMN1; SMN2 (0.69) CA2ESR1ESR2TRPV1ALDH1A1
SCHEMBL547175 0.83 GFER (0.54) ALDH1A1SLC6A3TDP1CYP3A4HSD17B10
SCHEMBL27676578 0.83 TPSAB1 (0.48) SLC6A3TDP1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6028224-A Fluoxetine process from benzoylpropionic acid SEPRACOR INC. (US) 2000-02-22 US claimed
WO-1999067196-A1 FLUOXETINE PROCESS FROM BENZOYLPROPIONIC ACID SEPRACOR INC. (US) 1999-12-29 WO claimed
US-5936124-A Fluoxetine process from benzoylpropionic acid SEPACOR INC. (US) 1999-08-10 US claimed
CN-108250191-B 3, 5-disubstituted 2-amino-pyrazine compound and preparation process and application thereof 兰州大学 2020-10-20 CN disclosed
US-20200270655-A1 CYSTEINE POLYSULFIDATION AND MITOCHONDRIAL BIOENERGETICS REGULATED BY CYSTEINYL-tRNA SYNTHETASE AKAIKE, TAKAAKI (JP) 2020-08-27 US disclosed
US-20130012692-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2013-01-10 US disclosed
US-8227474-B2 Sodium channel blockers PARION SCIENCES, INC. (US) 2012-07-24 US disclosed
WO-2011006935-A2 TETRAZOLE DERIVATIVES MERCK SERONO S.A. (CH) 2011-01-20 WO disclosed
US-20100144661-A1 SODIUM CHANNEL BLOCKERS PARION SCIENCES, INC. (US) 2010-06-10 US disclosed
US-20080207822-A1 COMPOSITION AND ASSOCIATED METHOD GENERAL ELECTRIC COMPANY (US) 2008-08-28 US disclosed
EP-1335908-B1 PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR ALPHA AGONISTS LILLY CO ELI (US) 2008-02-13 EP disclosed
US-20030105132-A1 N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PFIZER INC. 2003-06-05 US disclosed
US-20030096019-A1 Methods of using norfluoxetine SEPRACOR INC. 2003-05-22 US disclosed
US-6316467-B1 Elevation of HDL cholesterol by 4-[(Aminothioxomethyl)-hydrazono]-N-(substituted)-4-arylbutanamides AMERICAN HOME PRODUCTS CORPORATION 2001-11-13 US disclosed
EP-1070084-A4 PIPERAZINES AS INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE (FBPase) ONTOGEN CORP (US) 2001-09-12 EP disclosed
EP-1070084-A1 PIPERAZINES AS INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE (FBPase) Ontogen Corporation (US) 2001-01-24 EP disclosed
US-6028224-A Fluoxetine process from benzoylpropionic acid SEPRACOR INC. (US) 2000-02-22 US disclosed
WO-1999067196-A1 FLUOXETINE PROCESS FROM BENZOYLPROPIONIC ACID SEPRACOR INC. (US) 1999-12-29 WO disclosed
WO-1999047549-A1 PIPERAZINES AS INHIBITORS OF FRUCTOSE-1,6-BISPHOSPHATASE (FBPase) ONTOGEN CORPORATION (US) 1999-09-23 WO disclosed
US-5936124-A Fluoxetine process from benzoylpropionic acid SEPACOR INC. (US) 1999-08-10 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 (4 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-20030096019-A1 Methods of using norfluoxetine NGF, TPH2, ALOX5 CA2 2947/4885ESR1 3066/4885ESR2 2408/4885
US-20030105132-A1 N-phenpropylcuclopentyl-substituted glutaramide derivatives as inhibitors of neutral endopeptidase PREP, ENGASE, ENPEP CA2 279/4885ESR1 778/4885ESR2 177/4885
US-20100144661-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN5A, SCN2B CA2 145/4885ESR1 4647/4885ESR2 4050/4885
US-20130012692-A1 SODIUM CHANNEL BLOCKERS HCN4, SCN2B, SCN5A CA2 162/4885ESR1 4537/4885ESR2 4219/4885

“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.