SCHEMBL6522758

SCHEMBL6522758

CN(C)C(=O)c1ccc(F)c(B(O)O)c1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 4/20 0.50
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDK2 Q15119 2/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
POLB P06746 1/20 0.38
KCNH2 Q12809 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
BRD9 Q9H8M2 1/20 0.36
HSP90AA1 P07900 1/20 0.36
NCEH1 Q6PIU2 1/20 0.35
KMT2A Q03164 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
ANPEP P15144 1/20 0.35

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
SCHEMBL29956912 0.86 ERN1 (0.47) ERN1ALDH1A1HPGDSMN1; SMN2PDK2
SCHEMBL12813483 0.86 ERN1 (0.47) ERN1ALDH1A1HPGDSMN1; SMN2PDK2
SCHEMBL29951662 0.83 MLYCD (0.47) ERN1ALDH1A1HPGDSMN1; SMN2CES2
SCHEMBL16599656 0.83 MLYCD (0.47) ERN1ALDH1A1HPGDSMN1; SMN2CES2
SCHEMBL29956989 0.81 HSP90AA1 (0.51) ALDH1A1HPGDSMN1; SMN2PDK2KCNH2
SCHEMBL2653855 0.81 CES2 (0.59) ERN1ALDH1A1HPGDSMN1; SMN2PDK2
SCHEMBL3790092 0.80 ALDH1A1 (0.44) ERN1ALDH1A1HPGDSMN1; SMN2PDK2
SCHEMBL4037801 0.79 LMNA (0.50) ERN1ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL31224923 0.79 LMNA (0.50) ERN1ALDH1A1SMN1; SMN2CES2CES1
SCHEMBL841590 0.79 CES2 (0.42) ALDH1A1HPGDCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS X-CHEM GLOBAL HQ 2023-06-29 US disclosed
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11352330-B2 Phenoxymethyl derivatives HOFFMANN-LA ROCHE INC. (US) 2022-06-07 US disclosed
US-20200339522-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2020-10-29 US disclosed
EP-3344619-B1 PHENOXYMETHYL DERIVATIVES HOFFMANN LA ROCHE (CH) 2020-10-28 EP disclosed
US-10640472-B2 Phenoxymethyl derivatives HOFFMAN-LA ROCHE INC. (US) 2020-05-05 US disclosed
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-07-19 US disclosed
US-9802945-B2 Imidazopyridazine derivatives as modulators of the GABAA receptor activity PFIZER LIMITED (GB) 2017-10-31 US disclosed
US-20170197965-A1 Imidazopyridazine Derivatives As Modulators of the GABAA Receptor Activity PFIZER LIMITED (GB) 2017-07-13 US disclosed
EP-3154979-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS MODULATORS OF THE GABAA RECEPTOR ACTIVITY. Pfizer Limited (GB) 2017-04-19 EP disclosed
EP-2702063-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS Amgen Inc. (US) 2014-03-05 EP disclosed
US-8575160-B2 Imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-11-05 US disclosed
US-8575160-B2 Imidazole derivatives as aldosterone synthase inhibitors NOVARTIS AG (CH) 2013-11-05 US disclosed
US-8435976-B2 4-substituted pyridin-3-yl-carboxamide compounds and methods of use F. HOFFMANN-LA ROCHE (CH) 2013-05-07 US disclosed
US-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-03-14 US disclosed
US-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2013-03-14 US disclosed
WO-2012148775-A1 BICYCLIC PYRIDAZINE COMPOUNDS AS PIM INHIBITORS AMGEN INC. (US) 2012-11-01 WO disclosed
EP-2475659-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2012-07-18 EP disclosed
WO-2011029802-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2011-03-17 WO disclosed
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2011-03-10 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 (8 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-20200339522-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 ERN1 1231/4885ALDH1A1 131/4885HPGD 2706/4885
US-20130065893-A1 IMIDAZOLE DERIVATIVES AS ALDOSTERONE SYNTHASE INHIBITORS CYP11B1, CYP21A2, CYP11B2 ERN1 726/4885ALDH1A1 399/4885HPGD 236/4885
US-10640472-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 ERN1 1231/4885ALDH1A1 131/4885HPGD 2706/4885
US-20180201588-A1 PHENOXYMETHYL DERIVATIVES CNKSR1, RB1, RCOR1 ERN1 1231/4885ALDH1A1 131/4885HPGD 2706/4885
US-11352330-B2 Phenoxymethyl derivatives CNKSR1, RB1, RCOR1 ERN1 1231/4885ALDH1A1 131/4885HPGD 2706/4885
US-20230203007-A1 PYRIDINYLACETAMIDE DERIVATIVES AS SODIUM CHANNEL ACTIVATORS SCN1A, SCN3A, SCN2A ERN1 2779/4885ALDH1A1 1110/4885HPGD 2111/4885
US-20110059961-A1 4-SUBSTITUTED PYRIDIN-3-YL-CARBOXAMIDE COMPOUNDS AND METHODS OF USE PIM1, PIM3, PIM2 ERN1 844/4885ALDH1A1 1066/4885HPGD 854/4885
US-20170197965-A1 Imidazopyridazine Derivatives As Modulators of the GABAA Receptor Activity GABRA5, GABRA3, GABRA2 ERN1 4176/4885ALDH1A1 289/4885HPGD 961/4885

“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.