SCHEMBL3554163

SCHEMBL3554163

N[C@@H](CC(=O)O)c1ccc(O)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
SLC7A5 Q01650 1/20 0.46
ANPEP P15144 1/20 0.44
CA2 P00918 1/20 0.43
CAMK2A Q9UQM7 1/20 0.43
CYP2C9 P11712 3/20 0.43
MEN1 O00255 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
TAAR1 Q96RJ0 2/20 0.42
TSHR P16473 2/20 0.42
NFKB1 P19838 2/20 0.42
HTR3A P46098 1/20 0.42
HIF1A Q16665 1/20 0.42
GABBR2 O75899 4/20 0.42
GABBR1 Q9UBS5 4/20 0.42
LMNA P02545 2/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL284828 1.00 KMT2A (0.46) KMT2ASMN1; SMN2SLC7A5ANPEPCA2
SCHEMBL2765505 1.00 KMT2A (0.46) KMT2ASMN1; SMN2SLC7A5ANPEPCA2
Bicarbonate SCHEMBL15743197 0.98 KMT2A (0.45) KMT2ASMN1; SMN2SLC7A5ANPEPCA2
SCHEMBL8407301 0.83 CA2 (0.47) SLC7A5ANPEPCA2CYP2C9CYP2D6
SCHEMBL27735171 0.83 CA2 (0.47) SLC7A5ANPEPCA2CYP2C9CYP2D6
SCHEMBL2303463 0.83 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2ANPEPCYP2C9MEN1
SCHEMBL7104404 0.83 SMN1; SMN2 (0.54) KMT2ASMN1; SMN2ANPEPCYP2C9MEN1
SCHEMBL59840 0.83 GABBR2 (0.59) KMT2ASMN1; SMN2CYP2D6CYP2C19GABBR2
SCHEMBL288753 0.83 GABBR2 (0.59) KMT2ASMN1; SMN2CYP2D6CYP2C19GABBR2
SCHEMBL123765 0.83 GABBR2 (0.59) KMT2ASMN1; SMN2CYP2D6CYP2C19GABBR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101678118-A Efficient synthesis of chelators for nuclear imaging and radiotherapy: composition and use UNIV TEXAS 2010-03-24 CN claimed
CN-101516899-A Compositions and methods for cellular imaging and therapy UNIV TEXAS (US) 2009-08-26 CN claimed
CN-119074710-A Use of l-tyrosine in medicaments for the treatment of obsessive-compulsive disorders 重庆医科大学 2024-12-06 CN disclosed
CN-114728965-B Pyrido heterocyclic compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2024-05-28 CN disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
US-11702652-B2 Enzymatic encoding methods for efficient synthesis of large libraries NUEVOLUTION A/S (DK) 2023-07-18 US disclosed
CN-116240157-A Directional transformation method of L-tyrosine efficient production strain and production strain 天津科技大学 2023-06-09 CN disclosed
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF THE JOHNS HOPKINS UNIVERSITY 2023-01-05 US disclosed
CN-114728965-A Pyridino-heterocyclic compound, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2022-07-08 CN disclosed
EP-3305900-B1 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION AS (DK) 2021-07-21 EP disclosed
US-11066416-B2 Rapafucin derivative compounds and methods of use thereof THE JOHNS HOPKINS UNIVERSITY (US) 2021-07-20 US disclosed
US-20080255095-A1 Benzylamine analogues BTG INTERNATIONAL LIMITED (GB) 2008-10-16 US disclosed
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders AMGEN INC. (US) 2008-05-22 US disclosed
WO-2008030618-A1 BENZO-FUSED COMPOUNDS FOR USE IN TREATING METABOLIC DISORDERS AMGEN INC. (US) 2008-03-13 WO disclosed
EP-1362844-B1 BENZYLAMINE ANALOGUE BTG INT LTD (GB) 2007-12-05 EP disclosed
WO-2007062664-A2 ENZYMATIC ENCODING METHODS FOR EFFICIENT SYNTHESIS OF LARGE LIBRARIES NUEVOLUTION A/S (DK) 2007-06-07 WO disclosed
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders BTG INTERNATIONAL LIMITED (GB) 2007-02-15 US disclosed
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants SANKYO COMPANY, LIMITED (JP) 2004-04-08 US disclosed
EP-1362844-A1 BENZYLAMINE ANALOGUE Sankyo Company, Limited (JP) 2003-11-19 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 (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-11066416-B2 Rapafucin derivative compounds and methods of use thereof RICTOR, FKBP14, MTOR KMT2A 4739/4885SMN1; SMN2 4722/4885SLC7A5 2832/4885
US-20230000996-A1 RAPAFUCIN DERIVATIVE COMPOUNDS AND METHODS OF USE THEREOF RICTOR, FKBP14, MTOR KMT2A 4739/4885SMN1; SMN2 4722/4885SLC7A5 2832/4885
US-20080119511-A1 Benzo-fused compounds for use in treating metabolic disorders GOT2, PC, GLS2 KMT2A 1619/4885SMN1; SMN2 3293/4885SLC7A5 2100/4885
US-20070037793-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders CHRNA4, SLC6A4, DRD4 KMT2A 1565/4885SMN1; SMN2 1114/4885SLC7A5 417/4885
US-20070037795-A1 2-methyl-1-[2-(4-nitrophenoxy)-ethyl]-1,2,3,4-tetrahydroisoquinolin-6-yl dimethylcarbamate; Acetylcholinesterase inhibitors; selective serotonin reuptake inhibitory; Alzheimer's disease, depression, Huntington's chorea, Pick's disease, tardive dyskinesia, compulsive disorders or panic disorders SLC6A4, SLC6A3, HTR4 KMT2A 2146/4885SMN1; SMN2 834/4885SLC7A5 368/4885
US-20040067981-A1 Acetylcholinesterase inhibitor; Alzheimer's diseases, Hubtington disease, antidepressants ACHE, BACE1, CHRNA6 KMT2A 1769/4885SMN1; SMN2 725/4885SLC7A5 800/4885
US-20080255095-A1 Benzylamine analogues NR4A3, NAT1, HRH4 KMT2A 2769/4885SMN1; SMN2 2333/4885SLC7A5 794/4885

“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.