SCHEMBL1712579

SCHEMBL1712579

CC(C)(C)OC(=O)Nc1cccc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.51
GRM5 P41594 1/20 0.50
ATR Q13535 1/20 0.48
LCK P06239 3/20 0.47
GAA P10253 5/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 3/20 0.46
CYP3A4 P08684 3/20 0.46
CYP2C19 P33261 3/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 1/20 0.46
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
AGTR1 P30556 1/20 0.45
SORT1 Q99523 1/20 0.44
LMNA P02545 1/20 0.43
RXFP1 Q9HBX9 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
SCHEMBL29510654 1.00 ALDH1A1 (0.51) ALDH1A1GRM5ATRLCKGAA
SCHEMBL29394473 0.90 LCK (0.47) LCKGAASMN1; SMN2MEN1KMT2A
SCHEMBL27874209 0.84 ALDH1A1 (0.65) ALDH1A1GAASMN1; SMN2CYP1A2CYP3A4
SCHEMBL28997343 0.84 SORT1 (0.48) GRM5LCKMEN1KMT2ASORT1
SCHEMBL14622117 0.84 LCK (0.43) LCKGAASMN1; SMN2MEN1KMT2A
SCHEMBL533505 0.84 RAB9A (0.62) GRM5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL22523913 0.84 LCK (0.43) ATRLCKGAAMEN1KMT2A
SCHEMBL31151002 0.84 RAB9A (0.62) GRM5SMN1; SMN2MEN1KMT2AMAPT
SCHEMBL1857045 0.83 ALDH1A1 (0.48) ALDH1A1GRM5ATRLCKGAA
SCHEMBL31009974 0.83 LCK (0.42) ATRLCKGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4746964-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2026-05-27 EP disclosed
EP-4714499-A2 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2026-03-25 EP disclosed
WO-2026046976-A1 PYRAZOLOPYRIDINE PHOSPHATE ESTERS FOR MODULATING SALT-INDUCIBLE KINASE (SIK) F. HOFFMANN-LA ROCHE AG (CH) 2026-03-05 WO disclosed
EP-4650353-A1 4-ALKOXY BENZIMIDAZOLE-6-CARBOXYLIC ACID DERIVATIVE SERVING AS GLP-1 RECEPTOR AGONIST Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2025-11-19 EP disclosed
US-20250230129-A1 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF JIANGSU NHWA PHARMACEUTICAL CO., LTD (CN) 2025-07-17 US disclosed
EP-4497754-A1 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF Jiangsu NHWA Pharmaceutical Co., Ltd (CN) 2025-01-29 EP disclosed
WO-2025017078-A1 NEW PYRAZOLOPYRIDINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-01-23 WO disclosed
WO-2024149080-A1 4-ALKOXY BENZIMIDAZOLE-6-CARBOXYLIC ACID DERIVATIVE SERVING AS GLP-1 RECEPTOR AGONIST 中国科学院上海药物研究所 2024-07-18 WO disclosed
CN-118344349-A 4-Alkoxybenzimidazole-6-carboxylic acid derivatives as GLP-1 receptor agonists 中国科学院上海药物研究所 2024-07-16 CN disclosed
EP-4126855-B1 COMPOUNDS AND THEIR USE IN THE TREATMENT OF BACTERIAL INFECTIONS HOFFMANN LA ROCHE (CH) 2024-04-24 EP disclosed
US-20080004261-A1 CGRP receptor antagonists VERTEX PHARMACEUTICALS INCORPORATED 2008-01-03 US disclosed
WO-2007146349-A2 CGRP RECEPTOR ANTAGONISTS VERTEX PHARMACEUTICALS INCORPORATED (US) 2007-12-21 WO disclosed
CN-101090902-A Cgrp receptor antagonists MERCK & CO INC (US) 2007-12-19 CN disclosed
CN-101072771-A Cgrp receptor antagonists MERCK & CO INC (US) 2007-11-14 CN disclosed
US-7288655-B2 α v integrin receptor antagonists MERCK & CO., INC. (US) 2007-10-30 US disclosed
US-7288655-B2 α v integrin receptor antagonists MERCK & CO., INC. (US) 2007-10-30 US disclosed
US-5576320-A 1-heteruarylazetidines and -pyrrolidines, process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-11-19 US disclosed
US-5565474-A 1-heteroarylazetidines and -pyrrolidines process for their preparation and pharmaceutical compositions containing them SANOFI (FR) 1996-10-15 US disclosed
US-5410057-A 1-heteroarylazetidines and -pyrrolidines SANOFI (FR) 1995-04-25 US disclosed
EP-0591030-A2 1-Heteroaryl-azetidines and -pyrrolidines as 5-HT3 agonists SANOFI (FR) 1994-04-06 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 (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-20250230129-A1 POLYAMIDE COMPOUNDS, METHOD FOR PREPARING SAME, AND MEDICAL USE THEREOF ADCYAP1R1, PAICS, AGPS ALDH1A1 2580/4885GRM5 1961/4885ATR 4162/4885
US-20080004261-A1 CGRP receptor antagonists CALCRL, CALCR, GRPR ALDH1A1 1645/4885GRM5 317/4885ATR 4278/4885

“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.