SCHEMBL43452

SCHEMBL43452

C[C@H](N)c1cccc(O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.68
ADRA1A P35348 2/20 0.68
MIF P14174 1/20 0.68
HTR2A P28223 1/20 0.68
HTR2B P41595 1/20 0.68
HIF1A Q16665 4/20 0.54
LMNA P02545 4/20 0.54
KDM4E B2RXH2 2/20 0.54
ADRB2 P07550 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRB3 P13945 1/20 0.48
TSHR P16473 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
NFKB1 P19838 1/20 0.48
DRD1 P21728 1/20 0.48
HTR7 P34969 1/20 0.48
ADRA1B P35368 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL43453 1.00 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL29586078 1.00 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL782546 1.00 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL29708001 1.00 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL29429681 1.00 ADRB1 (0.68) ADRB1ADRA1AMIFHTR2AHTR2B
Hydrochloric Acid SCHEMBL3066472 0.98 ADRB1 (0.66) ADRB1ADRA1AMIFHTR2AHTR2B
Formic Acid SCHEMBL27966100 0.90 ADRB1 (0.58) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL659099 0.83 ADRB2 (0.46) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL10785909 0.81 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B
SCHEMBL921895 0.81 ADRB1 (0.61) ADRB1ADRA1AMIFHTR2AHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106905100-B Resolution method of chiral amine compound and intermediate thereof 联化科技(台州)有限公司 2022-07-15 CN claimed
EP-2582799-B1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL CODEXIS INC (US) 2017-12-20 EP claimed
CN-106905100-A The method for splitting and its intermediate of chiral aminated compounds 联化科技(台州)有限公司 2017-06-30 CN claimed
US-8852900-B2 Biocatalysts and methods for the synthesis of (S)-3-(1-aminoethyl)-phenol CODEXIS, INC. (US) 2014-10-07 US claimed
US-20130089898-A1 BIOCATALYSTS AND METHODS FOR THE SYNTHESIS OF (S)-3-(1-AMINOETHYL)-PHENOL CODEXIS, INC. (US) 2013-04-11 US claimed
WO-2011070585-A1 PROCESSES FOR PREPARING RIVASTIGMINE, SALTS AND INTERMEDIATES THEREOF SHODHANA LABORATORIES LIMITED (IN) 2011-06-16 WO claimed
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists GLAXOSMITHKLINE S.P.A. (IT) 2006-10-12 US claimed
EP-1659120-A1 3-substituted quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists GlaxoSmithKline S.p.A. (IT) 2006-05-24 EP claimed
US-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2004-09-16 US claimed
US-12378537-B2 Biocatalysts and methods for synthesizing derivatives of tryptamine and tryptamine analogs CODEXIS, INC. (US) 2025-08-05 US disclosed
US-12305201-B2 Engineered biocatalysts and methods for synthesizing chiral amines CODEXIS, INC. (US) 2025-05-20 US disclosed
US-20240026401-A1 ENGINEERED BIOCATALYSTS AND METHODS FOR SYNTHESIZING CHIRAL AMINES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2024-01-25 US disclosed
US-20230332115-A1 ENGINEERED BIOCATALYSTS AND METHODS FOR SYNTHESIZING CHIRAL AMINES INNOVATUS LIFE SCIENCES LENDING FUND I, LP, AS COLLATERAL AGENT 2023-10-19 US disclosed
WO-2022159688-A9 DEGRADERS OF GRK2 AND USES THEREOF SONATA THERAPEUTICS, INC. (US) 2023-09-21 WO disclosed
US-20040097518-A1 Quinoline derivatives as nk-3 antagonists GLAXOSMITHKLINE S.P.A. (IT) 2004-05-20 US disclosed
EP-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
EP-1351953-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GlaxoSmithKline S.p.A. (IT) 2003-10-15 EP disclosed
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators BRISTOL-MYERS SQUIBB COMPANY 2003-09-04 US disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed
WO-2002044165-A1 QUINOLINE DERIVATIVES AS NK-3 ANTAGONISTS GLAXOSMITHKLINE SPA (IT) 2002-06-06 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 (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-20040180902-A1 3-Substituted quinoline-4-carboxamide derivatives as nk-3 and nk-2 receptor antagonists HRH4, HRH2, HRH3 ADRB1 59/4885ADRA1A 147/4885MIF 2756/4885
US-20040097518-A1 Quinoline derivatives as nk-3 antagonists KCNK3, KCNQ3, KCNN3 ADRB1 195/4885ADRA1A 368/4885MIF 1354/4885
US-20030166650-A1 Cinnamide derivatives as KCNQ potassium channel modulators KCNH2, KCNH3, KCNQ1 ADRB1 424/4885ADRA1A 610/4885MIF 4550/4885
US-20060229315-A1 3-Substituted Quinoline-4-Carboxamide Derivatives as NK-3 and NK-2 Receptor Antagonists KCNK3, KCNJ2, KCNK2 ADRB1 240/4885ADRA1A 444/4885MIF 1875/4885

“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.