SCHEMBL2089538

SCHEMBL2089538

NC(=O)CCC(O)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCAT2 O15382 1/20 0.55
RIPK1 Q13546 1/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
PKM P14618 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
AOC3 Q16853 4/20 0.47
LMNA P02545 4/20 0.47
SLC6A3 Q01959 3/20 0.46
DRD3 P35462 2/20 0.46
MAPK1 P28482 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
EDNRB P24530 1/20 0.46
MC4R P32245 1/20 0.46
CYP2C19 P33261 1/20 0.46
MC3R P41968 1/20 0.46
DRD2 P14416 1/20 0.46
KDM4E B2RXH2 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45

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
SCHEMBL5462636 1.00 BCAT2 (0.55) BCAT2RIPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL5470948 1.00 BCAT2 (0.55) BCAT2RIPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL8021780 0.92 BCAT2 (0.55) BCAT2RIPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL2091811 0.83 HRH1 (0.52) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL258372 0.83 RIPK1 (0.52) BCAT2RIPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL991988 0.83 RIPK1 (0.52) BCAT2RIPK1SMN1; SMN2CYP1A2CYP2D6
SCHEMBL8107873 0.83 RIPK1 (0.52) BCAT2RIPK1SMN1; SMN2CYP1A2CYP2D6
Hydrochloric Acid SCHEMBL28569021 0.82 HRH1 (0.50) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL28957129 0.81 AOC3 (0.47) AOC3KDM4E
SCHEMBL22190392 0.81 BCAT2 (0.36) BCAT2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114850480-A Preparation method of high-conductivity flake silver powder for touch screen silver paste 中船重工黄冈贵金属有限公司 2022-08-05 CN claimed
US-20030096019-A1 Methods of using norfluoxetine SEPRACOR INC. 2003-05-22 US claimed
CN-116217415-B Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2024-06-18 CN disclosed
CN-114605272-B Preparation method of (R) -fluoxetine and derivatives thereof 中国科学技术大学 2023-09-08 CN disclosed
CN-116217415-A Method for synthesizing chiral 3-amino-1-phenylpropanol and chiral 3- (methylamino) -1-phenylpropanol 武汉大学 2023-06-06 CN disclosed
CN-114850480-A Preparation method of high-conductivity flake silver powder for touch screen silver paste 中船重工黄冈贵金属有限公司 2022-08-05 CN disclosed
CN-114850480-A Preparation method of high-conductivity flake silver powder for touch screen silver paste 中船重工黄冈贵金属有限公司 2022-08-05 CN disclosed
CN-114605272-A Preparation method of (R) -fluoxetine and derivative thereof 中国科学技术大学 2022-06-10 CN disclosed
WO-2020141734-A1 METHOD FOR PREPARING CHIRAL GAMMA-LACTAM COMPOUND AND METAL COMPLEX THEREFOR 기초과학연구원 2020-07-09 WO disclosed
US-8163761-B2 Methods and compositions for treating disorders HYDRA BIOSCIENCES, INC. (US) 2012-04-24 US disclosed
US-20070078188-A1 Compositions comprising and methods of using norfluoxetine CURRIE MARK G 2007-04-05 US disclosed
US-20030096019-A1 Methods of using norfluoxetine SEPRACOR INC. 2003-05-22 US disclosed
US-6566375-B1 For therapy of atherosclerosis WYETH 2003-05-20 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
US-6034272-A CARDIOVASCULAR DISORDERS AMERICAN HOME PRODUCTS CORPORATION (US) 2000-03-07 US 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
US-5936124-A Fluoxetine process from benzoylpropionic acid SEPACOR INC. (US) 1999-08-10 US disclosed
WO-1999025682-A1 ELEVATION OF HDL CHOLESTEROL BY 4-[(AMINOTHIOXOMETHYL) -HYDRAZONO] -N-(SUBSTITUTED) -4-ARYLBUTANAMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1999-05-27 WO disclosed
WO-1998057929-A1 ELEVATION OF HDL CHOLESTEROL BY N-[4-[ (AMINOTHIOXOMETHYL) HYDRAZONO] -4-ARYLBUTYL]AMIDES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 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 (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-20030096019-A1 Methods of using norfluoxetine NGF, TPH2, ALOX5 BCAT2 1921/4885RIPK1 4867/4885SMN1; SMN2 752/4885
US-20070078188-A1 Compositions comprising and methods of using norfluoxetine ALOX5, NGF, PTGER4 BCAT2 1679/4885RIPK1 4861/4885SMN1; SMN2 805/4885

“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.