SCHEMBL6790327

SCHEMBL6790327

NC(=O)C(c1ccccc1)N1CCOCC1

nearest known ligand 0.68

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.68
CYP3A4 P08684 3/20 0.57
CYP2C19 P33261 2/20 0.57
TSHR P16473 4/20 0.56
LMNA P02545 3/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
GAA P10253 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.50
HPGD P15428 1/20 0.50
KCNA5 P22460 1/20 0.50
HIF1A Q16665 1/20 0.50
HSD17B10 Q99714 1/20 0.47

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
SCHEMBL1706030 0.88 ALDH1A1 (0.73) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL627906 0.88 ALDH1A1 (0.73) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL15797662 0.87 LMNA (0.54) ALDH1A1CYP3A4CYP2C19TSHRLMNA
Hydrochloric Acid SCHEMBL15063255 0.86 ALDH1A1 (0.77) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL12486937 0.84 LMNA (0.71) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL15797474 0.84 SMN1; SMN2 (0.59) ALDH1A1TSHRLMNASMN1; SMN2
SCHEMBL11928250 0.84 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C19TSHRSMN1; SMN2
SCHEMBL15797501 0.84 TSHR (0.59) ALDH1A1CYP2C19TSHRLMNAL3MBTL1
SCHEMBL15711320 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C19TSHRLMNA
SCHEMBL18949027 0.83 ALDH1A1 (0.68) ALDH1A1CYP3A4CYP2C19TSHRLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2547656-B1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF NOVARTIS AG (CH) 2015-09-30 EP claimed
EP-2845593-A1 Pyridine and pyrazine derivative for the treatment of chronic obstructive pulmonary disease Novartis AG (CH) 2015-03-11 EP claimed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis NOVARTIS AG (CH) 2024-02-22 US disclosed
CN-113891744-A Pyridine and pyrazine derivatives for the treatment of CF, COPD and bronchiectasis 诺华股份有限公司 2022-01-04 CN disclosed
US-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG (CH) 2021-07-29 US disclosed
WO-2020250116-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF, COPD, AND BRONCHIECTASIS NOVARTIS AG (CH) 2020-12-17 WO disclosed
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis NOVARTIS AG (CH) 2020-12-10 US disclosed
US-20190262324-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG (CH) 2019-08-29 US disclosed
US-10117858-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2018-11-06 US disclosed
US-RE46757-E1 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2018-03-20 US disclosed
EP-2845593-A1 Pyridine and pyrazine derivative for the treatment of chronic obstructive pulmonary disease Novartis AG (CH) 2015-03-11 EP disclosed
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF NOVARTIS AG (CH) 2015-02-12 US disclosed
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF BAETTIG URS (GB) 2014-05-15 US disclosed
US-8476269-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2013-07-02 US disclosed
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors SANOFI (FR) 2013-04-04 US disclosed
EP-2547656-A1 PYRIDINE AND PYRAZINE DERIVATIVE FOR THE TREATMENT OF CF Novartis AG (CH) 2013-01-23 EP disclosed
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF NOVARTIS AG 2012-11-01 US disclosed
US-8247436-B2 Pyridine and pyrazine derivative for the treatment of CF NOVARTIS AG (CH) 2012-08-21 US disclosed
US-6743794-B2 MULTIDRUG RESISTANCE PROTEIN; CANCER; 3-(9-CHLORO-3-METHYL-4-OXO-5H-ISOXAZOLO(4,3-C)QUINOLIN-5-YL)) CYCLOHEXYL)-2-PIPERIDYLACETAMIDE ELI LILLY AND COMPANY 2004-06-01 US 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 (10 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-20210228554-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885CYP3A4 312/4885CYP2C19 456/4885
US-20200383960-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 ALDH1A1 2914/4885CYP3A4 501/4885CYP2C19 450/4885
US-10117858-B2 Pyridine and pyrazine derivative for the treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885CYP3A4 312/4885CYP2C19 456/4885
US-20190262324-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885CYP3A4 312/4885CYP2C19 456/4885
US-20130085128-A1 6-(4-Hydroxy-phenyl)-3-alkyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid amide derivatives as kinase inhibitors MAP3K1, MAP3K6, MAP4K2 ALDH1A1 1088/4885CYP3A4 2218/4885CYP2C19 2783/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 ALDH1A1 2546/4885CYP3A4 265/4885CYP2C19 316/4885
US-20240058315-A1 Pyridine and Pyrazine derivative for the Treatment of CF, COPD, and Bronchiectasis CFTR, OPRK1, CHRM3 ALDH1A1 2914/4885CYP3A4 501/4885CYP2C19 450/4885
US-20120277232-A1 Pyridine and Pyrazine Derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885CYP3A4 312/4885CYP2C19 456/4885
US-20150045364-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885CYP3A4 312/4885CYP2C19 456/4885
US-20140135329-A1 Pyridine and Pyrazine derivative for the Treatment of CF CFTR, OPRK1, OPRD1 ALDH1A1 2710/4885CYP3A4 312/4885CYP2C19 456/4885

“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.