SCHEMBL1718035

SCHEMBL1718035

O=C(O)C1NCC1c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.43
GRIK2 Q13002 2/20 0.42
HDAC4 P56524 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
GBA1 P04062 1/20 0.40
PKM P14618 1/20 0.39
PARP3 Q9Y6F1 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C1 Q04828 1/20 0.39

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
SCHEMBL1718039 1.00 ALOX15 (0.43) ALOX15GRIK2HDAC4SMN1; SMN2NPSR1
SCHEMBL1718034 1.00 ALOX15 (0.43) ALOX15GRIK2HDAC4SMN1; SMN2NPSR1
SCHEMBL28833784 1.00 ALOX15 (0.43) ALOX15GRIK2HDAC4SMN1; SMN2NPSR1
SCHEMBL28833830 1.00 ALOX15 (0.43) ALOX15GRIK2HDAC4SMN1; SMN2NPSR1
SCHEMBL6635115 1.00 ALOX15 (0.43) ALOX15GRIK2HDAC4SMN1; SMN2NPSR1
SCHEMBL16821111 0.87 GBA1 (0.44) ALOX15GRIK2HDAC4SMN1; SMN2NPSR1
SCHEMBL14762269 0.87 GBA1 (0.44) ALOX15GRIK2HDAC4SMN1; SMN2NPSR1
SCHEMBL199463 0.81 SLC1A2 (0.47) HDAC4AKR1C3AKR1C1
SCHEMBL199461 0.81 SLC1A2 (0.47) HDAC4AKR1C3AKR1C1
SCHEMBL350996 0.81 SLC1A2 (0.47) HDAC4AKR1C3AKR1C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230212788-A1 NEW METHOD FOR AUTOMATED ON-DEMAND BIOMOLECULAR ARRAY SYNTHESIS Technische Universität Dresden (DE) 2023-07-06 US disclosed
EP-4127718-A1 NEW METHOD FOR AUTOMATED ON-DEMAND BIOMOLECULAR ARRAY SYNTHESIS Technische Universität Dresden (DE) 2023-02-08 EP disclosed
CN-115698714-A Novel method for automated on-demand biomolecule array synthesis 德累斯顿工业大学 2023-02-03 CN disclosed
WO-2021191247-A1 NEW METHOD FOR AUTOMATED ON-DEMAND BIOMOLECULAR ARRAY SYNTHESIS Technische Universität Dresden (DE) 2021-09-30 WO disclosed
US-8293776-B2 Compositions and methods for treating inflammatory conditions of the bowel THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2012-10-23 US disclosed
EP-1713780-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2012-01-18 EP disclosed
EP-2338490-A2 Combinations Useful for the Treatment of Neuronal Disorders Probiodrug AG (DE) 2011-06-29 EP disclosed
US-7897633-B2 Neuronal disorders such as Alzheimer's disease, Down Syndrome, Parkinson disease, Chorea Huntington, pathogenic psychotic conditions, schizophrenia, impaired food intake, sleep-wakefulness, impaired homeostatic regulation of energy metabolism, impaired autonomic function; alcoholism PROBIODRUG AG (DE) 2011-03-01 US disclosed
US-7816325-B2 Secondary binding site of dipeptidyl peptidase IV (DP IV) OSI PHARMACEUTICALS, INC. (US) 2010-10-19 US disclosed
US-20100159032-A1 COMBINATIONS USEFUL FOR THE TREATMENT OF NEURONAL DISORDERS PROBIODRUG AG (DE) 2010-06-24 US disclosed
EP-1399469-A2 PEPTIDE STRUCTURES USEFUL FOR COMPETITIVE MODULATION OF DIPEPTIDYL PEPTIDASE IV CATALYSIS Probiodrug AG (DE) 2004-03-24 EP disclosed
US-20030176357-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels PROSIDION LIMITED (GB) 2003-09-18 US disclosed
US-20030148961-A1 Peptidyl ketones as inhibitors of DPIV PROSIDION LIMITED (GB) 2003-08-07 US disclosed
US-20030135023-A1 Peptide structures useful for competitive modulation of dipeptidyl peptidase IV catalysis PROSIDION LIMITED (GB) 2003-07-17 US disclosed
US-20030125304-A1 Substituted amino ketone compounds PROSIDION LIMITED (GB) 2003-07-03 US disclosed
US-20030119736-A1 Methods for improving islet signaling in diabetes mellitus and for its prevention PROSIDION LIMITED (GB) 2003-06-26 US disclosed
US-20030119738-A1 Novel inhibitors of dipeptidyl peptidase I PROBLODRUG AG (DE) 2003-06-26 US disclosed
WO-2003016335-A2 IRREVERSIBLE CYSTEINE PROTEASE INHIBITORS OF LEGUMAIN PROBIODRUG AG (DE) 2003-02-27 WO disclosed
WO-2003002593-A2 PEPTIDE STRUCTURES USEFUL FOR COMPETITIVE MODULATION OF DIPEPTIDYL PEPTIDASE IV CATALYSIS PROBIODRUG AG (DE) 2003-01-09 WO disclosed
CN-1314906-A Salts of paroxetine SMITHKLINE BEECHAM PLC (GB) 2001-09-26 CN 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-20030148961-A1 Peptidyl ketones as inhibitors of DPIV GLS, SLC5A1, BCKDK ALOX15 1543/4885GRIK2 2678/4885HDAC4 3061/4885
US-20030135023-A1 Peptide structures useful for competitive modulation of dipeptidyl peptidase IV catalysis PEPD, DNPEP, ANPEP ALOX15 3761/4885GRIK2 3019/4885HDAC4 1380/4885
US-20030125304-A1 Substituted amino ketone compounds SLC5A1, GLS, GPR119 ALOX15 1262/4885GRIK2 1052/4885HDAC4 3697/4885
US-20100159032-A1 COMBINATIONS USEFUL FOR THE TREATMENT OF NEURONAL DISORDERS MME, DNPEP, DPP4 ALOX15 3847/4885GRIK2 748/4885HDAC4 214/4885
US-20030119736-A1 Methods for improving islet signaling in diabetes mellitus and for its prevention IAPP, GLP1R, GPR119 ALOX15 1840/4885GRIK2 3666/4885HDAC4 906/4885
US-20030176357-A1 Dipeptidyl peptidase IV inhibitors and their uses for lowering blood pressure levels DPP4, DPP3, DPP9 ALOX15 3631/4885GRIK2 3269/4885HDAC4 438/4885
US-20030119738-A1 Novel inhibitors of dipeptidyl peptidase I CTSC, DPP9, DPP3 ALOX15 2505/4885GRIK2 3422/4885HDAC4 2786/4885

“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.