SCHEMBL804234

SCHEMBL804234

CC(N)C(C(=O)O)c1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.67
LMNA P02545 3/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2C P18825 1/20 0.54
HIF1A Q16665 1/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.52
KMT2A Q03164 1/20 0.50
SRC P12931 1/20 0.48
MAPK1 P28482 1/20 0.46
ALOX5 P09917 1/20 0.46
ALPI P09923 1/20 0.45
PKM P14618 1/20 0.45
PTGS1 P23219 1/20 0.45
XIAP P98170 1/20 0.45
SLC7A5 Q01650 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
SCHEMBL1644948 1.00 CYP2D6 (0.67) CYP2D6LMNAADRA2AADRA2CHIF1A
SCHEMBL1646857 1.00 CYP2D6 (0.67) CYP2D6LMNAADRA2AADRA2CHIF1A
Hydrochloric Acid SCHEMBL7363508 0.98 CYP2D6 (0.64) CYP2D6LMNAADRA2AADRA2CHIF1A
Acetic Acid SCHEMBL1646869 0.96 CYP2D6 (0.61) CYP2D6LMNAADRA2AADRA2CHIF1A
SCHEMBL289164 0.88 PTGS2 (0.61) CYP2D6PKM
SCHEMBL16569098 0.86 CYP2D6 (0.59) CYP2D6LMNAADRA2AADRA2CHIF1A
SCHEMBL27925049 0.86 CYP2D6 (0.59) CYP2D6LMNAADRA2AADRA2CHIF1A
SCHEMBL21327667 0.85 CYP2D6 (0.52) CYP2D6LMNAADRA2AADRA2CHIF1A
SCHEMBL4728054 0.83 CYP2D6 (0.61) CYP2D6LMNAADRA2AADRA2CHIF1A
SCHEMBL5158960 0.82 CYP2D6 (0.73) CYP2D6LMNAKMT2ASRCMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8580997-B2 Process for preparing R-beta-amino phenylbutyric acid derivatives JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-11-12 US claimed
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2011-06-02 US claimed
EP-2308829-B1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO (CN) 2017-06-14 EP disclosed
US-8580997-B2 Process for preparing R-beta-amino phenylbutyric acid derivatives JIANGSU HENGRUI MEDICINE CO. LTD. (CN) 2013-11-12 US disclosed
CN-101633625-B Method for preparing R-beta-aminobenzene butyric acid derivative JIANGSU HENGRUI MEDICINE CO 2013-02-13 CN disclosed
US-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NDSU RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NDSU RESEARCH FOUNDATION (US) 2012-03-22 US disclosed
US-8034974-B2 Beta-amino acids and methods intermediates for making same NDSU RESEARCH FOUNDATION (US) 2011-10-11 US disclosed
US-8034974-B2 Beta-amino acids and methods intermediates for making same NDSU RESEARCH FOUNDATION (US) 2011-10-11 US disclosed
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NORTH DAKOTA STATE UNIVERSITY 2011-09-08 US disclosed
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME NORTH DAKOTA STATE UNIVERSITY 2011-09-08 US disclosed
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2011-06-02 US disclosed
EP-2308829-A1 A PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES Jiangsu Hengrui Medicine Co., Ltd. (CN) 2011-04-13 EP 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 (3 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-20120071664-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO CYP2D6 1970/4885LMNA 755/4885ADRA2A 424/4885
US-20110218342-A1 BETA-AMINO ACIDS AND METHODS AND INTERMEDIATES FOR MAKING SAME BCAT1, BCAT2, DAO CYP2D6 1970/4885LMNA 755/4885ADRA2A 424/4885
US-20110130587-A1 PROCESS FOR PREPARING R-BETA-AMINO PHENYLBUTYRIC ACID DERIVATIVES ALAD, DAO, DDO CYP2D6 484/4885LMNA 1606/4885ADRA2A 384/4885

“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.